Contents Chapter 1: Wave Particle Duality 1.1 de Broglie’s Hypothesis of Matter Waves 1.2 Wavelength and Velocity of de Broglie’s Matter Wave 1.3 Predicted Wavelength of a Moving Electron 1 Relativistic de Broglie Wavelengeh 1.5 Experimental Wavelength of a Moving Electron 1.5.1 Davisson and Germer’s Experiment: Verification of de Broglie Hypothesis 1.6 Concept of a Wave-Packet 1.7 Velocity of Matter Wave: Group Velocity 1.8 Superposition of Number of Waves 1.9 Relation between the Group Velocity (vy) and the Particle Velocity (vp) 1.10 Relation between the Group Velocity (vg) and the Phase Velocity (vy) 1.11 Relation between the Phase Velocity and the Wavelength of de Broglie Wave 1.12 Heisenberg’s Uncertainty Principle 1.13 Heisenberg’s Uncertainty Principle by Thought-Experiments 1.13.1 Diffraction of Electrons through a Slit 1.13.2 Gamma Ray Microscope: Thought Experiment 1.14 Principle of Complementarity 1.15 Applications of the Uncertainty Principle 1.15.1 Non-Existence of Free Electrons in the Nucleus 1.15.2 Energy of a Particle in a One-Dimensional Box 1.15.3 Finite Width of an Energy Band Solved Examples Review Questions Chapter 2: Schrodinger Wave Equations and Applications 2.1 Matter Wave Equation: Free Particle 2.1.1 Time Independent Wave Equation 2.1.2 Time Dependent Wave Equation 2.2 Physical Significance of the Wave-Function y 2.3 Properties of Well-Defined Wave-Function y 2.4 Normalization of Wave Function 2.5 Orthogonality of Wave Function 2.6 Operators in Quantum Mechanics 2.6.1 Operator for Momentum 2.6.2 Operator for Kinetic Energy 2.6.3 Operator for Total Energy 2.6.4 Importance of the Hamiltonian Operator 2.6.5 Operator for the Total Energy 2.6.6 Operators for Angular Momentum 2.7 Expectation Values vill POIUNHRANN 2 10 11 12 12 14 15 16 16 17 17 22 22 2B 24 25 25 26 26 26 26 27 28 29 29 30 312.8 Postulates of Quantum Mechanics 2.9 Applications of Schrodinger Equation 2.9.1 Free Particle Particle in a Box 3 Particle in a Finite Well 2.9.4 Particle at a Potential Barrier ~The Tunnel Effect 2.10 Harmonic Oscillator 2.11 Electron Microscope 2.11.1 Scanning Electron Microscope (SEM) Solved Examples Review Questions Chapter 3: Statistical Physics 3.1 Introduction 3.2 Basic Assumptions of Statistical Mechanics 3.3 Statistical Balance 3.4 Classical and Quantum Statistics 3.4.1 Classical Statistics 3.4.2 Quantum Statistics 3.5 Symmetric and Anti-Symmetric Wave-Functions 3.6 Distribution Functions of Three Kinds of Statistics 3.7 Comparison of the Three Statistics 3.8 Applications of Statistical Mechanics 3.8.1 Molecular Speed and Energies in an Ideal Gas 3.8.2 The Black Body Spectrum 3.8.2.1 Spectral Distribution in Black-Body Radiation 3.8.2.2 Wien’s Displacement Law in Terms of E,, And T 3.8.2.3 Wien’s Radiation Formula 3.8.2.4 Rayleigh-Jeans Law 3.8.2.5 Planck’s Radiation Law 3.9 Planck’s Validation for Experimental Curve of Blackbody Radiation 3.10 Fermi-Dirac Distribution Function 3.11 Fermi-Energy 3.12 Mean Energy /Average Energy of Electrons 3.13 Applications 3.13.1 FermiDirac Function Applied to Free Electrons at Different Temperature 3.14 Dying Stars Solved Examples Review Questions Chapter 4: Crystal Structure 4.1 Space Lattice and Translation Vectors 4.2 Unit Cell of the Lattice 4.3 Basis and the Crystal Structure 33 34 34 34 38 43 49 53 55 57 65 67 7 o7 68 68 68 69 69 n 72 2B 73 76 16 7 78 78 719 82 84 85, 86 86 89 90 1 93 95, 7tal ices Operations for a C tems and Brava 4.6 Parameters Related to Crystals: Definitions 4.6 Calculation of Parameters: SC, BCC and FCC Unit Cells 4.7.1 Simple Cubic (SC) Unit Cell 4.7.2 Body Centred Cubic Lattice (BCC Lattice) 4.7.3 Face Centred Cubic Lattice (FCC Lattice) 4.8 Calculation of Lattice Constant 4.9 Density of Lattice Points in a Lattice Plane 4.10 Various Crystal Structures Solved Examples Review Questions Chapter 5: Crystal Planes, X-Ray Diffraction and Defects in Solids 5.1 Indices of Lattice Planes: Miller Indices 5.2 Spacing between Lattice Planes 53 Diffraction of X-Rays, Electrons and Neutron’s by Crystals. 5.3.1 X-Ray Diffraction 5.3.2 Electron Diffraction 5.3.3 Neutron Diffraction 54 Bragg’s Law 5.5 Determination of Crystal Structure 5.5.1 Laue Method 5.5.2 Rotating Crystal Method 5.5.3 Debye and Scherer Method: Powder Method 5.6 Point Defects in Solids 5.6.1 Point Imperfection 5.6.2 Lattice Imperfection 5.6.3 Impurities 5.6.4 Vacancies 5.7 Concentration of Schottky Defects 5.8 Concentration of Frenkel Defects Solved Examples Review Questions Chapter 6: Band Theory of Solids 6.1 The Free Electron Model 6.2 Origin of Bands 6.3 Quantum Model of Energy Band 6.4 Motion of an Electron in Periodic Potential (One-Dimensional Treatment) 6.4.1 Bloch Theorem 6.4.2 Quantum Model of Energy Bands - Kronig Penney 6.5 Brillouin Zones 6.6 One Dimensional Dynamics of Electrons lid 98 9 102 102 103 105 106 109 109 109 114 115 17 117 121 122 122 124 124 124 126 126 127 128 129 129 129 130 130 131 133 134 140 143, 143 144 145, 146 147 147 152 1536.6.1 Momentum, 153 6.6.2 Velocity 154 6.6.3 Effective Mass 155 6.6.3.1 Origin of Effective Mass 156 6.6.3.2 Physical Significance of Effective Mass 157 6.7 Conclusion 157 6.8 Distinction Between Conductors, Semi-Conductors and Insulators: Based on Band Theory of Solids 158 6.9 Semi-Conductors 160 6.9.1 Intrinsic Semi-Conductors 160 69 rinsic Semi-Conductors 165 Solved Examples 169 Review Questions 171 Chapter 7: Semiconductor Diodes 72 7.1 Junction Diode 172 7.1.1 Formation of pa Junction 172 7.1.2 Depletion Width of pn Junction 173 { 7.1.3 Energy Band Diagram of pn Junction 174 7.1.4 Biasing of pn Junction Diode 176, 7.1.5 Characteristics of a pn Junction Diode 177 7.1.6 Resistance of Junction Diode 179 7.1.7 Diode Equation (V-I Equation for Diode) 182 7.2 Tunnel Diode 182 7.2.1 Explanation I-V Characteristic of Tunnel Diode 183 7.3 Zener Diodes 185 7.4 Photodiode 187 7.5 Light Emitting Diode (LED) 190 Solved Examples 192 194 Review Questions IQuantum Mechanics Introduction, Wave particle duality, de Broglie waves, The experiment of Davisson and Germer Electron diffraction, Physical interpretation of the wave function, Properties, The wave packet, group and phase velocity, the Uncertainty principle, The Schrodinger wave equation (1D), Bigen values and Eigen functions, Expectation values, Simple Eigen value problems ~ solutions of the Schrdinger's equations for the free particle, the infinite well the finite well, Tunneling effect, the scanning electron microscope, the quantum simple harmonic oscillator (qualitative), Zero-point energy,Chapter 1 Quantum Mechanics Introduction — Wave Particle Duality We have stadied that the phenomenon of interference and diffraction shown by light, prove the wave re of The transverse character of light is shown by the phenomena of polarization and electromagnetic wave nature and the transverse character of light waves is well established by James Clerk Macwell, However, the black body radiation, photoelectric effect and Compton Effect could only be explained on the basis of discrete particle (the photons) nature of radiations (wave). Also, there are other physical phenomenon which prove that the radiations show wave as well as particle nature. Now, it is well proven thar radiation has a dual character. In one situation, it behaves like a wave whereas in another simaatiog, it is supposed to behave like a particle (matter). In 1924, French theoretical physicist, Prince Louis de Broglie, suggested that if light wave can behave Eke marrer, so matter should also possess wave character because nature loves symmetry. Later, wave character of electron was experimentally verified by C.}. Davison and LH. Germer in 1927, and also br G.P. Thomson in the same year. ‘The hypothesis, proposed by Prince Louis de Broglie about the wave character of matter, is known as wave-partcle duality. Li de Broglie’s Hypothesis of Matter Waves Prince Louis de Broglie put forward the following arguments which were enough to defend his hypothesis of matter wave: # The whole energy in the universe is only in two forms: either matter or radiations. ‘© Nature loves symmetry. So, the dual character of matter should also exist as in the case of radiation. On the basis of the above arguments, he gave the following hypothesis, called as de Broglie hypothesis of matter wave. According to this, a moving particle has a wave associated with it and the wavelength of this matter wave, is given by; h ~ nv a Here, m and v are the mass and velocity of the particle respectively, h is Planck’s constant. The relation (1) was derived by taking analogy with radiation, but de Broglie could not provide conclusive experimental evidence for the wave nature of matter. Later Davisson and Germer gave the evidential proof about the wave nature of electron which could be considered as the first experimental proof of matter wave. 1.2 Wavelength and Velocity of de Broglie’s Matter Wave We have the equation of photonic energy of radiations as; E = hv= pe = me? Q3 Wave Particle Duality x h jf 8 Or A= (Here, symbols used have their usual meanings) If p, which is used as the momentum of the photon, is considered the momentum of a material particle, then the de Broglie wave length of matter wave should be given as; h h Aso == 4 a = @ Here, p = mvp is the momentum of the particle and vp is the particle velocity of the material particle. For the relativistic case, the wavelength is given as; O) mvp Move Now if Vw is the wave velocity of the matter wave associated with the particle, then using the well- known relation for wave velocity, we have; Vw = VA © Bur using relation (2) and analogy of total relativistic energy of the de Broglie particle, mc? = hv , we have; oe 0 Using (4), (6) and (7), we have; h 2 [= ® “The Eq, (8) gives the wave velocity of de Broglie’s matter wave. Here, it can be observed that the wave selocity Vyy of a wave associated with a moving particle is always greater than c ice. velocity of light, as the particle velocity Vp is always less than c. So, the relation (8) contradicts Einstein’s postulate about selocity of light ie. velocity of light cannot be attained. To justify the relation (8), the concept of wave- packet came into picture which was predicted by Schrodinger. According to him, a single wave ociated with a moving de Broglie particle has no physical significance and there is always a group of aves called wave-packet associated with a moving particle. So, the wave velocity or phase velocity Vwys 2ssociated with a particle does not have any meaning and it does not matter whether itis greater than ¢ or not. Later, we will show that the velocity of wave-packet called group velocity is equal to the particle velocity can be considered as the velocity of matter wave of the moving particle.$ Wave Particle Duality 1.3 Predicted Wavelength of a Moving Electron ‘The theoretically predicted value of the wavelength of a moving electron can be calculated in the following manner. Let an electron of mass m and charge e is accelerated by a potential difference V. If vp be the velocr: acquired by the electron, then the kinetic energy of the electron is given by: KE = my} = eV So, the de Broglie wavelength of moving electron will be given as; a= to h O, ABR 1) This formula can also be used to calculate the theoretical value of wavelength of any charged partice Particularly for electrons, it comes out to be; 27 Or ARB A (10) Using Eq. (10), we can calculate the wavelength of a moving electron different accelerating poteatiak. For example, at 100V, the wavelength of an electron would be; = Fag = 1227A However, this wavelength is in the range of wavelength of X-Rays, but these waves are quite differest from electromagnetic waves as well as mechanical waves. 1.4 Relativistic de Broglie Wavelength AAs we know, the mass is a variable quantity then according to Einstein’s theory of relativity, so for the particle moving with relativistic velocity, the mass of the moving particle will be taken as; ay where Mp is the rest mass of the particle, V is its velocity and c is the velocity of light. Applying relativistic equation for kinetic energy K, viz. K = (m— my) c? Also, (m— mp) c? = eV Or, (m= mo) = wv ev Or, m= m += m(1+ 4) ev. or, m= mia +2? ‘Substituting the valuc of m’/?in Eq. (9) above, we get the velocity of the relativistic electron: he =+ ev y-1/2 a2)5 Wave Particle Duality h Puwing = = a in (12) we have the expression for the wavelength of an clectron for relativistic case, as; 2.28 vy as tk (13) 1.5 Experimental Wavelength of a Moving Electron Davisson and Germer performed an experiment and calculated the wavelength of the wave of moving electrons which was very close enough to the wavelength predicted by de Broglie. At that time it was considered the first experimental verification of matter wave. 1.5.1 Davisson and Germer’s Experiment: Verification of de Broglie Hypothesis Apparatus: The Davisson and Germer apparatus is shown in Fig.1.1. F is a tungsten filament which emits electrons when it is heated by passing a current from a low-tension battery B. P is a metal plate having a narrow hole, S1. It is maintained at a positive voltage V with respect to F so that the electrons are accelerated by the potential difference and emerge as a well collimated beam through the hole S;. C is a nickel crystal with its (1 1 1) face normal to the beam of electrons. When the clectron beam is incident on the crystal, electrons are scattered in all directions by the atoms in the crystal. Battery, B ‘Nickel erystal Fig, 1.1. Davisson and Germer experimental set-up AB is the chamber called Faraday Cylinder, in which the electron beam scattered in a given direction from the nickel crystal is received. The chamber can be rotated about an axis in the face of C passing through the point of incidence of the electron beam. The electron current is measured by means of a sensitive galvanometer G. The front and back walls of the chamber are insulated from one another and 4 retarding potential V, is applied between them so that only those electrons which have energy eV can enter the chamber. The apparatus is enclosed in an evacuated chamber. Experimental Method: A known potential difference is applied between the filament F and the metal plate P. The chamber AB is set at different angles, and for cach setting of the chamber, the current is6 Wave Particle Duality noted. The curtent is directly proportional to the number of scattered electrons entering the chamber in 1 sec. Thus, the intensity of the scattered beam is measured as a function of the angle of scattering, ‘The crystal is held in a fixed position throughout the measurements. This observation is repeated for different known potential differences. For each potential difference, the intensity of the current is plotted against the angle of scattering as shown in Fig, 1.2. Observation and Calculations: Iris seen that the intensity of the scattered beam is maximum at 6= 50° when the accelerating voltage V = 54 volts. The plotted curve of the intensity of the current due to scattered electrons resembles with the diffraction pattern. jean jeam Direction of Incident Beam Disection of Incident Beam Direction of Incident B Direction of Incident Beam Ditection of Incident Bi “Vv 48V HV OV BV Fig.1.2. Later, it was found that the intensity curve of scattered electrons is due to Bragg’s diffraction like phenomena of waves of electrons through the crystal as in Fig.1.3. If itis so, then applying Bragg’s well- known formula for diffraction, the experimental value for the wavelength of the electron can be calculated as; 2dsin 0 = nd a4) where @ is the angle at which the electrons are incident to the interatomic planes and d is the perpendicular distance between two adjacent rows of atoms in (1 1 1) planes of the nickel crystal. In this case itis 0.91A. Bragg’s diffraction for X-Rays From the geometty of the crystal as in Fig.1.4 and using Fig.1.3, we have: e= 3 (180 — 4) = 5 (180 — 50) = 65°zi Wave Particle Duality Using Bragg’s diffraction equation for the first order for the electron waves, we have; 2=2%x0.91A sin6s° =165A (15) The theoretical value of wavelength of electron, accelerated by 54V potential difference, can be calculated by the Eq. (9) which comes out to be; 1228 1228 _ 12.28 N= =e = Fae = LO7A (16) From (15) and (16), we can see that theoretically calculated value of Broglie is nearly equal to the experimentally calculated value of wavelength, Electrons Accelerated at 54V length as postulated by de NI 50° Bragg’ Planes Nay Single Copa of Ni, Fig. 14. As all the experimental calculations to find the wavelength, are done according to the Brage’s diffraction equation and also the diffraction is a property of wave so from here the wave nature of moving electrons is verified. Uhimately, we can say that the de Broglie’ hypothesis for waves of moving material particle is experimentally verified from this Davisson and Germer experiment. 1.6 Concept of a Wave packet Now it has been proved experimentally that the matter can behave like a wave. But as we look at the Eq. (8), it seems that wave velocity (phase velocity) of the wave associated with the particle exceeds the velocity of light, so this wave leaves the particle, far behind from the wave as the particle velocity is very less than this wave velocity of the particle. Both these statements are not acceptable because according to the Einstein’s postulate, the velocity of light cannot be reached and the wave should be an integral part of the particle ie. the wave should be intact with the particles and in any case, wave should not leave the particle. So, relation (8) cannot be justified in any way as such. To justify this relation, Schrodinger gave a hypothesis. According to that, there are a number of waves associated with the de Broglie particle rather than single waves. All the waves have slightly different velocities wavelengths from each other. They all always interfere constructively in a small region of space where the particle exists and destructively where the particle does not exit. Wherever the amplitude of the constructive interfering region is higher, the probability of particle to be there is higher. This implies that a group of waves making a region of constructive interference are always around the particle. This group of waves which confines the particle within it, is called a wave-packet (Fig.1.5). In nutshell, according to Schrédinger, it may be concluded that there is a wave-packet associated with a moving de Broglie Particle rather than a single wave. Later, it will be proved that the velocity of this wave-packet called& Wave Particle Duality group velocity was found to be equal to the velocity of the particle and is always less than the velociy of light. It means the concept of a single wave associated with the de Broglie particle has no physical significance and so the wave velocity (phase velocity) of individual wave does not have any meaning So, the relation (8) can be justified in a way such that the velocity of this single wave given by the relation (8), does not have any physical meaning. So, it does not contradict Einstein’s Postulate about the velocity of light. Fig.1.5. Wave packet of a de Broglie particle 1.7 Velocity of Matter Wave : Group Velocity ‘As it has been shown that a single wave associated with a moving particle has no physical significance and there are a group of waves associated with the particle, the velocity of wave of a particle will always mean the velocity of the group of waves. This velocity is called group velocity. It will also be shows here that this group velocity is always equal to the velocity of the particle which is confined in the wave packet of this group of waves. 1.8 Superposition of Number of Waves To explain the concept of wave packet, let us look at the superposition of a number of wave simplicity, let us take only two waves of slightly different velocity and different frequencies, given follows. Two plane simple harmonic waves frequencies, travelling simultaneous represented by: ya = Asin(wt — kx) 0) yo = Asin[w't — k’x] (18) ss. For of the same amplitude but of slightly different wavelengths ané ly in the positive x-direction in a dispersive medium can be Here, o! = w = Sw and k’ — k= 6k “The resultant displacement y at time ¢ and at position x is given bys y=vtYo = Asin(wt — kx) + Asin[w’t— k’x] Or lific: we have, ies : ; eran cos (= )t- (C*)1-sin|(@E*) eS) x] ay represents a wave equation ‘whose angular frequency is 2* stant +=, propagation consti! ‘The above Eq. (19) ‘ ; ha =yerand the amplitude is 2A cos [¢ 2) é ="), K+ , wavelengt 2 is, the velocity of the phase of a wave, also known as oto i z oto Wek tk? 2 wave velocity, will be; Ww (As the wave velocity = 2) (20) Here, it should be noted from Eq, (19) that the amplitude of the resultant of two waves having slightly different frequencies and velocities, is not constant but varies as sinusoidal in nature and given as; ‘a! a Kk R= 2Acos[(“*)t- | (21) ‘The Eq, (21) gives the variable amplitude which again represents an equation of a progressive wave in wo k’ which 2A is the amplitude, "—* jis angular frequency, velocity can be given as: is the propagation constant and whose (22) From the above treatment, we can say that Eq. (19) represents a beat kind of wave in which the amplitude of the wave is also propagating as a sinusoidal wave with a velocity as given by Eq. (22), different from the phase velocity given by Eq, (20). As it has already been mentioned that the particle is intact with this variable amplitude and maximum amplitude indicates the higher probability of the particle’s presence. So, the velocity of this amplitude wave given by the relation (22) will be same as that of the particle. Later, it will be proved mathematically. In the similar way, we can find the superposition of the number of waves which are associated with the de Broplie particle. There we can justify that the amplitude of constructive interference region is moving with the velocity given by Eq. (22) and as according to Schrodinger, the particle is located in the region of the constructive interference, so the Particle is also moving with the velocity given by (22), called as the group velocity of the wave-packet. So, for a wave-packet, associated with a de Broglie particle, the group velocity or the particle velocity can be written as; = Se ve = jim, ~ 8k 3) And the phase velocity will be given as; wlto _@ vw = a Ke 4) From (23) and (24), its clear that group velocity and the phase velocity of the matter wave is entirely different. 1.9 Relation between the Group Velocit We have the well-known energy relation; (vg)and the Particle Velocity (vp) 2 where E is the total energy, V is the potential energy and mvp? is the kinetic energy of the particle.Wave Panicle Now, as the group velocity is given as; = dn) dv ay ap Or, = 5.3 {2m(hv — V)} 4(2mh) =—™_ at ~~ fam(E=V) vp Lot Or Ye YD Or, It shows, group velocity of the wave- packet is equal to the velocity of the de Broglie parce. 1m between the Group Velocity (v,)and the Phase Velocity (Vw) ¢ the propagation constant an an 35 a2 a2 25 k=For a= @) Phase velocity Vw = 2Or © = vy k 26) . do > And the group veloci S en a avy =A wk) = vw tk avy ah =vwt Kae b a A¢ an ye ak ed) > ie dvw aw Hence, Vy = Vw + ke (—38) _ andy vw dy hey My Vw = Ag” 8)iW Wave Particle Duality ‘This Eq. (28) shows that the group velocity Vg is less than wave velocity (phase velocity) Vy, when the les inedivm is dispersive. When the medium is non-dispersive, “Y= 0, then Vp = Vy. Here it should be noted that the relation (28) is a general relation between the group velocity of a group of waves and the se velocity of a single wave. The relation shows that for a non-dispersive medium, group velocity is {ual to the phase velocity. But here it should be noted that no medium, even the free space also ea hon-dispersive medium for matter waves. So, group velocity which is equal to the particle velocity, will ever be equal to the wave velocity or phase velocity. This can also be shown as follows. , pha: 1.11 Relation between the Phase Velocity and the Wavelength of de Broglie Wave ‘The phase velocity of the de Broglie wave associated with a patticle in motion is given by E vw = P Substituting the expression for the total relativistic energy E, we gets pc? + mict Vy =—— w P a2 =F f+" Pp pe =c {1+ P’ Now, substituting p = h/2 in this equation we gets = vw = eft + (SE) 22 @) This equation shows that for a particle in motion, the phase velocity of the associated wave is always even in free space it is a function of the wavelength. In other words, we can say 20 greater than c and medium is non-dispersive for the matter waves and the velocity of matter waves is always less than the velocity of light. Now, we have understood that according to de Broglie, a moving particle is equivalent to a group of waves, called a wave-packet, whose velocity is equal to the group velocity of the wave-packet. According to Schrodinger, the position of the particle within the wave-packet is uncertain and the probability of finding the particle is higher at the position where the amplitude of the constructive superposition is higher in the wave-packet. It means at the quantum level where a particle can be considered as a wave, there is an uncertainty in the position of the particle within the wave-packet. So, the Heisenberg’ uncertainty principle should be applied to find the uncertainty in the position as well as in the momentum of the particle to estimate the other physical parameters of a particle. 1.12 Heisenberg’s Uncertainty Principle [As discussed in the previous section, a wave packet is of finite width. So, specifying the position of an electron is uncertain within the wave-packet. Also at the same time, the spectral distribution of the amplitude of a wave-packet covers a range of wavelengths which by the de Broglie relationship means that the momentum of an electron will also be uncertain. ‘Thus, we can say that the position and the momentum of an electron in general cannot be determined exactly and simultaneously. The principle12 Wave Particle Duality states that for a particle of atomic magnitude in motion itis impossible to determine both the postion and the momentum simultaneously with perfect accuracy. Ifthe momentum of an electron is accrately known then by the de Broglie relation, the wavelength of the associated wave has «unit ¥ the associated w: ale, ie. ve is monochromatic, In such a case, the wave-packet has infinite length and hence the position of the electron may be anywhere between minus infinity and plus infinity. Quantitatively the principle is represented by Heisenberg’s uncertainty relation explained first by Wermer Heisenberg, in 1927, This term has been translated as uncertainty, indetetminacy ot indefiniteness which is as follows The product of the uncertainty Ax (or possible error) in the x-coordinate of a particle in motion at some instant, and the uncertainty Apy in the x-component of the momentum at the same instant is of the order of o greater than h. Ax.Ap,2 h The symbol 2 stands for “is of the order of, or greater than.” In three dimensions, the uncertainty relations are; Ax. Ap, 2h Ay.Apy 2h (30) Az. Ap, 2h 61) The uncertainty principle can also be expressed in terms of the energy E of the particle and the time t at which it is measured as AE.At> h 62) Where AE and At represents uncertainty in the energy and the uncertainty in the time respectively 1.13 Heisenberg’s Uncertainty Principle by Thought-Experiments Any imaginary experiment not violating the fundamental law: practically is a thought experiment. The Heisenberg’s Uncertainty Principle can be explained by experiments s of nature but cannot be performed considering the following two thought 1.13.1 Diffraction of Electrons through a Slit Let us consider a parallel beam of electrons which is moving from left to right in a horizontal dircetion. Fora particular electron, we can locate its vertical position y above a fixed point. We block the beam bya vertical sereen having a slit of width Ay comparable to the calculated de Broglie wavelength of an clectron as shown in Fig. 1.6. Then a narrow beam of electron together with the particular electron passes through the slit. ‘Sit A Photographic plate Fig. 1.6.13 Wave Particle Duality It can be seen that the beam that passes through the slit undergoes diffraction as a moving cl always associated with a wave. A Fraunhofer diffraction pattern consisting of central wide band with maximum intensity followed by dark and bright bands of decreasing intensity on both the sides is observed on the photographic plate P placed perpendicular to the direction of the incident beam, For an electron in the incident beam, if p be the momentum of an electron, then the wavelength of the associated wave is given h a=s @3) If the first minima is formed at A such that @ be the angle of diffraction of the electrons in the beam, then . a sin@ = y (4) The diffraction pattern observed concludes that: 1. While passing across the slit, each electron gets deflected at the slit but the place in the slit at which the passage of an clectron takes place remains quite indefinite by the amount Ay. Thus, the uncertainty in the y coordinates of an electron which has passed through the slit = Ay. This uncertainty for an electron, which is deflected through @ in the upward or downward direction keeping in view of Eq, (34) can be given as: a Ay (35) sind 2. The original momentum for an electron p decreases in the horizontal direction when an electron is deflected at the slit, thereby acquiring momentum Apy in the y-direction (the resultant momentum p remaining constant). The original momentum of an electron however was accurately known to be zero in the y-direction Apy is thus the uncertainty along the y component of the momentum. This uncertainty for the electron which is deflected through @ in the upward or downward direction, is given by (Fig. 1.6) Apy = psin® ho. Or, Apy = ysin 8 (36) Hence, the product of the uncertainties in the simultaneous determination of the y coordinate and y- component of the momentum of the electron at the instant when it passes through the slit is given by AL h Ay. Apy = = y-7sin® =h 67) The probability of an electron reaching the centre of the pattern is greatest. Therefore, Eq. (37) gives the maximum uncertainty Apy for a given value of Ay. Hence, Eq, (37) is consistent with the uncertainty relation ie. Ay. Apy 2h By decreasing Ay, we decrease the uncertainty in the determination of the y-coordinate but from Eq. (G4) this leads to an increase in the angle @ producing a wider diffraction pattem. A wider diffraction pattern implies larger value of the uncertainty Apy.14 ‘Wave Particle Duality 1.13.2 Gamma Ray Microscope- Thought Experiment Usually called y-ray microscope experiment, this thought experiment was first proposed by We know that, the atomic radius of an atom is of the order of 10~*'m. If suppose we want to locate the position i.c., the x-coordinate of an electron of an atom by means of a microscope with an uncertainty of about 10% of the radius of the atom, we must employ radiation of wavelength of the order of 10~17m ie., 0.01A.This means that the electron can be illuminated with y-rays of wavelength of the order of 0.01A. Consider an electron at O (Fig. 1.7) is at rest and we want to locate its position for which we illuminate on ita narrow beam of monochromatic y-rays proceeding in the x-direction. If v be the frequency and 2. the wavelength of the y-rays. Then the momentum of an incident y-ray photon in the x-direction is: hv _h eX Heisenberg. he electron can now be visible only when a photon gets scattered by the electron into the microscope hhis causes change in the frequency and wavelength of the scattered photon resulting in Compton recoil of an electron due to gain in its momentum. When an electron is observed in the microscope, let 2a be the angle subtended at the electron by the diameter AB of the instrament’s aperture. The scattered photon may enter the microscope along the surface of the cone whose semi-vertical angle is a, or along the surface of the cone. Senttered photon momentum = hv’ y-Ray photon ‘Momentum = hy Suppose, the photon enters the microscope along OA. Let v’ be the frequene of the scattered photon, the momentum of the scattered photon along OA ic he a : ¢ The image of the electron formed by the microscope will be a diffraction Pattern centeal bright die flanked on both sides by alternate dark and bright rings tye can be anywhere within the centea bright disc, the diameter of this dse tun, Poston OF the electron the position of the electron. If AX be the diameter of the central dise and so wa i ce uncertainty in the position. According to Rayleigh exiterion of resolution, the resolving poets UBSErainy in instrument isthe distance between the peak intensity and the st minimum of ype wee Of 4M optical and its expression is; "action pattern, RP.= 2sina 'y and 2 the wavelength which consists of a15 Wave Particle Duality Or Ax= one (38) This is the expression for the uncertainty in the position. Now, ; let p be the gain of momentum by the electron in the direction of recoil 0. Recoil x electron =-psina Op, =p sina Fig. 18. Resolving the momenta along OX (Fig. 1.7), we get; ™ = ™c0s(90° — «) + pcos he or = 7 sina+p cos6 Or 39) In this equation, p cos 0 is the x-component Px of the momentum p. Since, the term h/2.on the tight- hand side of this equation is accurately known and since the scattered photon can enter the microscope along any other direction making angle less than a with the axis of the microscope, the second term on the right-hand side of Eq, (38) represents maximum uncertainty in Py. Thus, Ap, =4 sina (40) Multiplying Eq. (38) by Eq. (40), we get, Ax. Ap, =h Since in this equation the value of Apy is the maximum, equation is consistent with the uncertainty relation Ax. Ap, 2h 41) 1.14 Principle of Complementarity In 1928, Bohr introduced the principle of complementarity, according to which wave and particle Properties of electromagnetic radiation and matter are merely complementary ways of regarding the same phenomenon. Both the properties are important for providing a complete explanation of the16 Wave Particle Duality results of an experiment on an atomic phenomenon, But because of the principle of uncertainty, HM impossible to design an ee weigh ceveals the detail of ether the wave or the particle prope Tf-we try to improve the accuracy of the measurement so that both the properties should be reve simultaneously, there is an unavoidable interaction between the measuring apparatus and the quantity to be measured, For example, the complementarity principle for particle and wave characteristics can be very well understood with the two slit diffraction experiment of electron. If we try to define the exact trajectory (Position) on the screen, the interference pattern disappears. 1.15 Applications of the Uncertainty Principle 1.15.1 Non-existence of Free Electrons in the Nucleus We know that: @ _ Emission of an electron from a radio-active nuclei is at about 4 MeV and is the maximum possible kinetic energy of an electron. (The rest mass of the electron, mp = 9.11 x 1074kg, and (ii) The diameter of the nucleus is * 2 X 107m. ‘This means that if an electron exists within the diameter of the nucleus, the maximum uncertainty Ax in the position of the electron is the same as the diameter of the nucleus, ie, Ax=2x10714m (42) According to Heisenberg’s uncertainty relation, the product of the uncertainty AX in the position of the electron and the uncertainty Ap, in the x-component of its momentum is given by Ax. Ap, Zh + The uncertainty in the momentum Px iss h Ap, 2 So, the minimum uncertainty in the momentum is given by; h APx = = 083x10"* _ 6.63 x 10720 amxaxagae = = 5.278 X 10-2 ke. m/sec, (43) It means that if an electron exists in the nucleus, its minimum momentum must be Pmin = 5:278 X 102g, m/sec, Now, the total relativistic energy FoF « particle is given by E? = pc? + mgc* For the electron of the minimum momentum, the minimum energy is given by 4 Ekin = Princ? + MC _ -21 x 3 x 108)2 ~: = (5.278 x 10 )? + (9.11 x 10 31)203 x 108)17 Wave Particle Duality 5.28? x 9 x 10776 4+ 9.11? x 81 x 10-30 = 2.5 x 1074 4 6.72 x 10-77)? ‘The second term is much smaller than the first. Therefore, it can be neglected. Thus, Emin = V2.5 x 10-2 = 158 x 1071) 458810 eV = 0.9875 x 107 = 9.875 MeV Thus, if a free electron exists inside the nucleus, it must have a minimum energy of about 9.0 MeV. But the maximum kinetic energy which a B~particle emitted from radioactive nuclei can have is 4 MeV. Therefore, free electrons cannot be present within nuclei. 1.15.2 Energy of a Particle in a One-Dimensional Box We can find out the kinetic energy of a particle trapped in one dimensional box of length 1. The maximum uncertainty in the position of the particle can be given as; (Ax) max=! According to the Heisenberg’s uncertainty principle, we have; h dx.dp *h => Ap= 2 Now as (AX)max = 1, so the minimum momentum of the particle should be; Ap= » So, the kinetic energy of a particle in a box will be ee 2m ami? Or, the energy of the particle in box will be; 1? =— 44) nmi? ¢ ) The Eq, (44) can also be derived with the help of Schrodinger equation for a particle in a box. 1.15.3 Finite Width of an Energy Band Theoretically, itis proved that each energy level can be treated as a spectral line without any band width considering each energy level having single value of energy. But in practicality, each energy band has few numbers of energy levels in its band thereby giving a finite width to a spectral line. This can be proved very easily using Heisenberg’s Uncertainty principle. According to it, we have; AE. At 2 h, 8 We know that the mean life time of an electron in the excited state is of the order of * 10~Ssec, therefore the minimum uncertainty in the energy in any energy level should be;18 Wave Particle Duality a AE 3 6.623 x 10-34 10-8 6.623 x 10-?6 Joules This is a finite value thus defining a finite band width of the excited energy levels indicating an impossibility to produce purely monochromatic radiation, In other words, each electromagnetic radiation produced has its own finite band rather than being fully monochromatic. On Abie ***Solved Examples" Based on de Broglie Ex.1. A ball of mass 10g has velocity 1m/s. Calculate the wavelength associated with it. Why does their wave nature not apparent in our daily observations. Given h = 6+ 62 X 107S4oule-sec. Sol. The de-Broglie wavelength 2 is given by ees _ = g. -32, Gox10- kg m/s) 6-62 x 10°-%2m. ‘The wavelength is much smaller than the dimensions of the ball; therefore, is such cases wave-like Properties of matter cannot be observed in our daily observations. Ex.2. (a) Find the de-Broglie wavelength in angstroms for an electron of energy V electron volts. (b) Calculate the wavelength associated with an electron subjected to a potential difference of 1- 26 kV. Sol. (2) The de-Broglie wavelength is given by h h inv YmE [Since E = zmv?, so that mv = y2mE] Given E = Velectron-volt = 1-6 x 10719 V joule mass of the electron m = 9-1 x 10731 kg and Planck’s constant h = 6+62 x 10734 joule-sec. 6-62 x 10734 = 2220x107 | _ 1228 wW (b) The de-Broglie wavelength 2. is given by 25kV = 1-25 x 103y 1228 A =0-34A. Ex.3. Calculate the de-Broglie wavelength associated with a proton movi 1/20" of the velocity of light. Sol. Velocity of proton Here ng with a velocity equal to19 Wave Particle Duality y= Yelocity oflight _ 3x 10°m/s 20 20 ws =1:5 x 10’m/s and mass ofthe proton, m= 1-67 10-27kg, Planck’s constant h= 6-6 x 10734 joule-sec. de Broglie wavelength, A= 2 = ee x10ee mv 167 x 10-27 1-5 x 107 = 2-634 x 107m. Ex.4. Find the energy of the neutron in units of electron-volt whose de-Broglie wavelength is 1 A. Given mass of the neutron = 1-674 x 10-7kg, Planck’s constant, h = 6+ 60 x 10734 joule-sec. Sol. The de Broglie wavelength A associated with a neutron of mass m and energy E is given by = 2. A= am OTM = oe a Here h = 6:60 x 10734 joule-sec,m = 1: 674 x 10-?7kg,and& = 1A = 10719 m. ho (660 x 10-4) 66X56 49-21 © 2x 1674 x 10-27 x (10-10)? 2X 1674 _ _ 13.01% 10-7! = 13-01 x 107*joules= SOA = 8-13x 10-7 eV= 0-0813 eV. Ex. 5 A proton and a deuteron have the same kinetic energy. Which of the two has longer de Broglie wavelength? , : Sol. Let ‘m’ be the mass of the proton. Then the mass of deuteron is 2m. We have: h proton mk And, ee ee And, Adeuteron FGayR Dividing, we get; 22" = yZ Aeeuteron . Ex.6 Calculate the wave velocity and group velocity of a de Broglie wave of an electron whose speed is 0.900c. And also justify the value of the wave velocity. — Sol. As, the group velocity is same as the particle velocity. So, the group velocity is; Vg = 0.900c And the phase velocity ie. wave velocity will be; Vee == Vp 0900e cc _ 3x108 0.900c 0.900 3.33 x 108m/s 5 Here, the value of phase velocity or wave velocity of a de Broglie particle comes out to be greater than the velocity of light in free space. Which is direct contradiction of Einstein’s postulate about the velocity that “single £ light. be justified on the basis of the concept 2 of light. Actually it is not a contradiction. It can be j oo denne”, only the group eds of wave associated with a moving particle has no any physical : moving particle is a relevant term. So, the velocity of a de Broglie wave, greater than speed of light has no relevance.f radius 107m, Based on uncertainty principle jena Ex.7 Calculate the uncertainty in the momentum of a proton confined in a nue From this result, estimate the kinetic energy of the proton. the momentum is Sol. If the proton is confined within a nucleus of radius To, then the uncertainty 1 given by ap ~ B= Gosexre = 1.054 x 10°?%kgm/s Taking the momentum p to be of the order Ap, the kinetic energy of the proton 1S fea 2m ~ Imre? where m is the mass of the proton. Substituting the values, (osexio-y? 10-8 = SE B= yyaer x10 x Gone = 09326 I= Y6xa0- 0.21 MeV Ex.8 The speed of bullet of mass 50g is measured to be 300 m/s with an accuracy of 0.01% with what accuracy can we locate the position of the bullet? Sol Ap = A(mv) = m(Av) = 50_ 300x001, ~ 000 100 5 x 1073 nh 1.054 x 10734 Ax = 2 = L010 32, Ap 1.5 1073 ea a Ex.9 A nucleon (neutron or proton) is confined to a nucleus of radius 5 x 10-15m. Calculate the minimum possible values of the momentum and the kinetic energy of the nucleon. Sol. The maximum uncertainty in the position of the nucleon is AXmax = 2 5 x 10715 = 10714m ; According to the uncertainty principle, the minimum uncertainty in the momentum of the particle is h 1.054 x 1073 APmin * ae = 1.05 x 10-?°kg. m/s ‘The momentum cannot be less than this value. Thus, Pmin = APmin = 1.05 x 107?°kgm/s. ‘The minimum kinetic energy is, therefore, a (2.054 x 10779)? MeV = 0.2MeV Kymin = Gm" = Zxde7 x 10-27% 16x10 hectron movi Ex.10 Find the smallest uncertainty in the position of an electron moving with velocity 3 x 107m/S- Given h = 6.63 x 10%Js, my = 9.1 x 1073? kg Sol. According to the uncertainty principle, Axmin * =" SP max APmax ~ P, the momentum of the electrons my = Bev21 Wave Particle Duality Therefore, Axgjy = NATE _ 1054 10! sas) na = 1 mov Sax 10-9 ax ao" Ld — (3 p00, = 3.8 x 10-12m = 0.0384 “Review Questions*** Based on de Broglie 1. What is de-Broglie hypothesis of matter waves? Who gave an experimental verification for this hypothesis? de Broglie matter waves travel with a phase velocity greater than the velocity of light, Does this violate Einstein's special theory of relativity? Justify your answer. 3. State de Broglie’s hypothesis. Derive the expression for the de Broglie wavelength of a particle in terms of a) its kinetic energy b) accelerating potential, both for the relativistic and non-relativistic cases. What do you understand by a wave packet? Discuss the representation of a material particle by a wave packet. Distinguish between group velocity and phase velocity. Describe the Davisson ~ Germer experiment for establishing the wave nature of electrons. Explain in brief the phase velocity of a quantum particle. Is it a measurable quantity? Find the velocity of an electron if its de Broglie wavelength is 1.2 A. [Ans. 6.0 X 10 m/s] A nonrelativistic electron has wavelength 2A. What is its energy? _[Ans. 37.5 eV] 0. Calculate the de Broglie wavelength of a neutron having kinetic energy 28.8 eV. Mass of neutron = 1.67 X1027 Kg, h = 6.62 X 10Js. [Ans. 4.2 A] v soy zoe Based on Heisenberg Uncertainty Principle - Is the uncertainty relation Ax Ap,, = 0 correct or incorrect? Justify. Explain energy-time uncertainty relation. 13. State Heisenbetg’s uncertainty principle for position and momentum. Illustrate the principle by Heisenberg’s gamma ray microscope. 14. Describe how the single-slit experiment using an electron beam illustrates the uncertainty principle. 15. State Heisenberg's uncertainty principle and use it to prove the non-existence of an electron inside the nucleus. . 16. How does Heisenberg's uncertainty principle help us to decide whether an electron exist inside the nucleus or not? 17. Given the uncertainty relation among energy and time. Name one phenomenon /experiment to prove this relation. : 18, An election is confined toa box of length 10%m, Estimate the uncertainty in the measurement of ts speed. Mass of electron = 9 x 103Kg. box m/s] 19. A bullet of mass 0.03 Kg is moving with a speed of 500m/s. The speed is measured with an n inty f y % inty principle, estimate the uncertainty in the measurement of accuracy of 0.02% using the uncertainty princip| eee its position.Chapter 2 Schrédinger Wave Equations and Applications tion eee orion e come across that the position, momentum, energy ete. of a moving de poee Particle which follows the Heisenberg’s Uncertainty Principle. In order to study the dynamics of such particles which are actually represented by matter waves, we need to develop certain equations of these waves which can be used to find the various physical parameters of the de Broglie particles. As any particle behave as a wave at the quantum level, so the equation of matter waves developed by Schrédinger are called the Schrédinger wave equations. These are known as the fundamental equations of quantum mechanics. In order to find the various physical parameters of a matter wave, the known equations of classical mechanics may not be appropriate for quantum mechanical system, as itis. But we can start with some general wave equation for the development of appropriate equations for quantum mechanics. As the nature of the wave of the particle is undefined, so let us start with the general wave equation as; 2a a eo (General wave € fo! woe quation for one dimensional case) where u is the wave variable which varies with space x and time t and Vis the velocity of the wave. ‘The wave variable u can be replaced by y which is to be considered as the wave variable for matter wave called the wave function of the de Broglie wave. The physical significance of this wave function Wand the necessary postulates of quantum mechanics which are must for the development of theory and formulations for quantum mechanics, will be discussed later in this chapter. Ler us first derive the Schrédinger wave equations of quantum mechanics. 2.1 Matter Wave Equation- Free Particle Let a particle of mass m be in motion in space, with momentum p and total energy E. The position and the momentum of the particle cannot be determined simultaneously as per Heisenberg’s Uncertainty Principle. Let us consider that the wave associated with de Broglie particle is a plane, continuous harmonic wave travelling in the positive x-direction. The general wave equation for the matter wave can be considered as ay _ 10 ox? v2 (a) Where , the wave variable is known as wave function and v is the velocity of the mat For three-dimensional case we can write; ter wave, As this is a second order differential equation, the general solut ion for th written ass '¢ one-dimensional case isB Schrédinger Wave Equations and Applications WOrt) = perio) = yyenHot- ony) Or, W(t, t) = y,e7Hot- boo Q P E Putting k= me and w = pin the Eq, (2), we have: y(r,t) = ye ~Px/) 8 The Eq, (3) describes the wave equivalent equation of a free particle having total energy E and momentum p moving along the positive x direction, as the energy and momentum are such physical parameters which can be defined for wave as well as for a particle. The expression (3) is correct for a freely moving particle. This may be considered as an ideal case, as in most of the cases, the quantum dynamics of any particle is possible only under a lot of restrictions. So, for practical purpose, the free particle equation should be modified under some restriction imposed on the motion of the particle, for example, motion of an electron bound to an atom ete. (Time Independent Wave Equation In most of the situations, one of the restrictions is the independency of the potential energy of the particle. Although the motion of the particle is constrained under some forces and the potential energy vary with the position of the particle only. For this case, the Schrodinger equation can be modified by removing the time varying function. ‘The wave-function given by the Eq. (2) can be re-written as v&) =v, ido) Here, VE Woe™ and y,= yet If the function y,= yge™"* does not vary with time, then the wave function (2) can be treated as independent of time i. wt) = yO) = y,el The Schrédinger equation thus can be said as time independent ¢ following way: Differentiating Eq. (2) with respect to t, we have .quation. Tt can also be done in the oe -i(wt ~ kx) Bt OW oe Fv _ dy pn iwt- kx) ae OMe ey _ 2 Or TEs -w*y On substitution, the Eg, (1) becomes eas oeThe kinetic energy of a particle can be written as; 1 imv? =E-V So, the Eq, (4) can ae written as =. ae. sem E- Vy =0 For three~ case, it will be written as; Vy +2 (E-Vw=0 6) Here, it should be noted that in Eq. (4), the potential energy V does not vary with time and so the wave function y may be treated as time independent. This is called Schrodinger’s time independent wave equation. (ii) Time Dependent Wave Equation If the restrictions imposed on the particle are such that the potential energy becomes time dependent then, for finding various physical parameters of quantum dynamics of the particle we need time dependent Schrodinger wave equation. Differentiating Eq. (3) with respect to ‘? © Or (0) We have; Vp + = —V)y=0 oO, (-Ev?+vy= Ey Putting (7) in the above equation, we have: CEv+vy= in 6) Or Hy =Ey Here, Fl = (—¥ 9? + V) is called Hamiltonian.23 Schrédinger Wave Equations and Applications ‘The Eq, (8) is the time-dependent form of the Schrodinger wave equation for the motion of a particle. Tn this equation, y is a function of x and t and V is a function of x and t. 2.2 Physical Significance of the Wave-function ‘The matter-wave variable iy called wave-function, undergoes periodic changes and is the only physical quantity that gives information about the particle within the wave-packet and further can be used to find other physical parameters like position, energy, momentum etc, of the quantum particle. Schrodinger suggested that the different values of amplitudes in the wave-packet gives the probability of particle to be there in the wave-packet. Large value of amplitude corresponds to a larger probability for finding the particle. Initially it was thought that y should be related to the amplitude in the wave- packet so as to find the probability of finding the particle within the wave-packet. Taking the analogy of electromagnetic waves, if A is the amplitude than |A|? is the photon density. In the same manner, Vy should directly give the probability of the particle at that position within the wave-packet. As the amplitude may be negative but the probability is never be negative. It means w cannot signify the probability directly and y does have any physical significance other than the wave variable. To remove this discrepancy, in 1926 Max-Born suggested a quantity called “probability density” , which was later developed by Bohr, Dirac, Heisenberg and others and is widely accepted till date. According to them, the quantity |y|? removes the difficulty of the negative sign of the amplitude and may be represented as the probability density of the particle in the state y. The probability of finding the particle in a volume element dt about any point r at time t can be expressed as : P(r) dt = y(t) Pde The function y, sometimes may be called as probability amplitude of the particle. The postulate suggested by Born shows that the quantum mechanical laws and the results of their measurements can be interpreted on the basis of the probability considerations. According to this interpretation, since the particle always exists in this universe, so probability of finding the particle somewhere in the universe would be: pO) dt =f, ly.) dt =1 ‘This expression is also known as the condition for normalization of any wave-function, 2.3 Properties of Well-defined “Wave function y” The physical parameters of a quantum particle can be given by Wy ic., a wave function when itis operated by a suitable operator. Such kind of quantum particles can be quantized and bounded under some conditions. All the wave-functions are not suitable for a quantum mechanical system and so we have to consider various properties that can be satisfied for a well-defined wave-function. ® y must be finite everywhere for all values of x, y, 2 and t. (4) must be single-valued icc., for each set of values of x, y and 2; y must have one value only. (ii) y must be continuous in all regions except in those regions where the potential energy, V(x, y,Z) = o, (iv) The partial derivatives O/ Ox, dy/ dy, dy/ Az also must be continuous everywhere. A wave function satisfying, the above conditions is called a well-defined wave-function.onsen J ARPESMEGEY + Wave I Schrodiny Je element dt 1 of Wave function = volum’ 2.4 Normaliza nd in a volu vil be fou es Since yy] dt or ly? is the probability that the particle will " ity that Che particle will be sMrrounaling the point at the postion (%y,2) ate time tthe 101 f y ceinewhere in space at the time t must be equal to 1. Thus, we haves Clwy'lde = f° lwooy,z OP dt = 1 ere, the integration is to be taken all over the space. in. are ee earion eatisfving the above relation is called a normalized wave-function 2.5 Orthogonality of Wave function seat uy wolnenbelsed ware Ruactons Vm &Y, Zand y,,(% y, Z)corresponding t tv different eigen values Em and E, of energies are orthogonal, that is the integral of the product cof one of them and the complex conjugate of the other over the common domain of the function is zero. Thus, fm V,dT = SV}, Wydt = 0, ifm #n Since the wave functions are normalized, it follows that; SV5,Vadt = 1, ifm=n where dt = dxdydz is the volume element 2.6 Operators in Quantum Mechanics, Eigen Function, Eigen Value and Eigen Value Equation . ; a ‘An operator is a rule which changes a function into another function. For example, the operator © represents differentiation with respect to x. When it operates on a function then we have €g.5 f(x) = x" oF nxt Then; 7 OX Ifa function f(x) is such that an operator A which operates on f(x) gives Af(x) = af(x) () Or, ASIAF@)I = Here a is a constant, then; @ fOdis called eigen-function of the operator (the German word eigen means proper or characteristic (i) the constant a is called the eigen-value of the operator belonging to the eigen-function f(x), @ the equation, such as Eq. (9) is called the eigen-value equation. : 1us, an cigen value equation states that itor acting on a function i tulip by cos cota s an operator acting o: reproduces the same function ow, we derive some operators of quantum mechanics for a free particle. Thy . The valid for a bound particle. All operators of quantum mechanics have eigen-functige nor, Wil also be ictions and eigen values. 2.6.1 Operator for Momentum ‘The wave function for a free particle moving along the positive x-direction is21 chrddinger Wave Equations and Applications i WO%, t) = yy en Pex BD (10) Differentiating this equation with respect to x, we get x Lop, x-Et) eh Px i = vy (2) px =ipay ® iox ~ PxW ) Or, This isthe eigen value equation for the x-component of the momentum, The equation shows that otg J gi the operator, (ii) w(x, t) is the eigen function of the operator, and (ii) Py is the eigen value of he pe rator. a Hence, 75, is the momentum operator for the x-component of the momentum. The operator is denoted by Py. Thus Px a 12) i ox ( [The symbol “‘hat) is used in above, the quantity to distinguish the operator from the physical quantity,] Similarly, for the y and z-components of the momentum, the operators are 3) Be (4) idz ‘The momentum operator is defined as the operator which operating on the wave function, reproduces the wave-function multiplied by the momentum. In three dimensions, the operatot for the momentum B is; a _ he (15) 2.6.2 Operator for Kinetic Energy From the momentum operator, we haves Tax = Px¥ Differentiating this equation with respect to x, nay ay Tax Px ay oy i But, 3, = yPx¥ nary i Toe = PxyPx¥ way _ 2 or ag = Px a or = -h?2¥ = pry Ox? Dividing this equation by 2m28 ications Schrddinger Wave Equations and Applicatior (6) a) where, K = is the kinetic energy of the particle. This is the eigen value equation for the kinetic energy of the particle moving a equation shows that: Jong the x-direction. The nn? oF ss ' @ FE Xs the operator, Gi) w(t) is the eigen function of the operator, andl (il) K = “yyy 18 the eigen value of the operator. on? @? ; Hence, $2 is the kinetic energy operator for the motion of the particle along the x-direction. The oF operator is denoted by R. Thus, on? a? mipe (18) In three dimensions, the operator for K is oh? K ve (19) 2.6.3 Operator for Total Energy ‘The total energy of the particle moving along the x-axis is given by =e B= +VQ@) where V(x) is the potential energy. 2 Substituting the value of 24, from the above Equation in Eqn. (16), we get; xt ev _ (Ev) 2m Ox? ¥ -h? ay =E On 2m Ox? ay wv —n? 02 ] =e on Fae tly = ev 20) “This is the eigen value equation for the total energy E of the particle moving along the x-direction, The eg : : equation shows that (~ = 25+ V) isthe operator, W(t) i the eigen function of the operator and =n? oF Eis the cigen value of the operator. Hence, (Gr 592 + V) is the total energy o) of the particle along the x-direction. This operator is denoted by Ay and is called th operator for the one-dimensional motion. Thus, ¢ Hamiltonian “na? A= mae t Perator for the motion For the three-dimensional motion, the total energy operator will be; H(S+S+S)+v29 Schrédinger Wave Equations and Applications ah Or, SV? + Vis call y P= + tS, = led as total energy operator, where, V?= 55+ 53 + 5 ‘The total energy operator is denoted by A and is called the Hamiltonian operator. Thus; a a tV @1) Thus, the Hamiltonian operator Al is the differential operator which, operating on the wave function, reproduces the same wave function multiplied by the total energy. (For the total energy operator, we write Hl and not E because the total energy is assumed to be expressed in terms of the momentum, similar to the Hamiltonian function H, which stands for the total energy in terms of the position and momentum coordinates), 2.6.4 Importance of the Hamiltonian Operator Let w(x, ¥,2) be the wave function associated with a particle in motion. The three-dimensional time- independent Schrodinger equation is vty + Vy = By 2 + vy = By on [EF Or, Ay =Ey 2) In Eq, (22) we find: (i) On the left-side, the oper w yz). Gi) On the right-side, Ey is the product of the total energy E and the wave function y- Thus, the Hamiltonian operator operating on the wave function reproduces the same function Itiplied by the total energy E. The forw, the solutions of the time-independent Schrodinger equation are the eigen-functions of the Hamiltonian operator, and the eigen-values E, of the operator are the only possible values of the total energy that a quantum mechanical system may possess. ator is the Hamiltonian operator which operates on the wave function 2.6.5 Operator for the Total Energy Differentiating Eq. (2) with respect to t we get i av (i) (pet Pxx- 29 = y,(5) Be 3) a oy E Or, ihZy = Ev . Ope ine ‘This equation shows that the total energy operator IS 1 9g (24) “This operator is denoted by E op 2 B= ing30 Schudidinger Wave Equations and Applications ‘The total energy operators defined as the operator which, operating on the wave function reproduces the wave function multiplied by the total energy. 2.6.6 Operators for Angular Momentum, In classical mechanics, the angular momentum L of a particle is defined by L xP 25) where Fis the position vector of the particle relative to some arbitrary origin and Dp" is its linea momentum. From Eq, (25) the components Ly, Ly and L, of L along x, y and z axes, are respectively given by Lx = YP2— 2Py Ly = 2px xP 26) Le = XPy — XPx, Now using the expression for the linear momentum operators, the operators for Ly, Ly and Lz are given by k C= en t, List of Some of the Operators with Their Symbols Dynamical Symbol Quantum ‘Mechanical variable Operator Position x x y y * z Momentum Px ha Py Tx Pe BTotal energy — _ ih a Total energy E nh? owe arty Kinetic energy K 2 ye 2m Potential energy V@y,z) VQuy,z) 2.7 Expectation Values Keeping in view the uncertainty principle, solution of Schrodinger’s wave equation fora particle is given by wave function wy, z,t), which contains all the information about the variables of the particle. This information is in the form of probabilities and not the definite values except for those variables for which the solution gives quantized values. It is possible to find the average or the expectation value of a dynamical quantity by knowing the quantity y"(x, t)y(x, t)dx which is the probability that the particle will be found over a small distance dx at position x, at time t. The expectation value of a dynamical quantity may be defined as the mathematical expectation for the result of a single measurement. In other words, it is the average of the results of a large number of measurements on independent identical systems, ie., the systems represented by identical wave functions. Let us take an example wherein we can find the expectation value < x > at time t of the position of an electron along the x-axis in an electron-diffraction experimental arrangement. If we want to study the positions of a large number of electrons say N, each of them is described by the same wave function ‘W(X, t). Also, if we want to find the electron position at time ‘t’ and find the number of electrons with positions between x and x + dx then the probability that an electron will be in the position berween xandx + dx number of electrons in the positions between xand x-+ dx a But according to the interpretation of the wave function, this probability is y"(x, t)y(x, dx, where w(x, t) is normalized. +. The number of electrons in the positions between x and x + dx = Ny"(x,t), w(x, t)dx Hence, the sum of all the measured values X1, X2,X3 + ««++Xn for all the N electrons is given by Xp XyXy tot xy = SR Ny Owls Ddx Suda to fy) 8 wo Dax ‘The left-hand side of this equation is the expectation value < x >. =f% wD ky dx (28) where the function y(x, t) is normalized. ; : Ina similar way, the expectation value of any function f(x) is given by32 Schrddiniger Wave Equations and Applications _ Sav" @di@ wOwddx = {wr Dueax [As the function (Xt) is normalized then the expectation value can be written as <{@) >= fv &OF® w@ Dax @9) Tf the wave-function is not normalized within some limits, then the expectation value is written as *(x0F &) wxtdx = (OF Od) vx J v°@ty tax Where f (x) is the operator for the function f(x). Thus, ifthe potential energy is a function of x, i. €, V(X), its expectation value is given by = fiw @&OV@vG pdx (0) To obtain the expectation value of the momentum Py, we should express Py in terms of X but we cannot find p, and x exactly and simultaneously. Therefore, to find < px >, the function f(x) in Eq, (30) is replaced by the operator. Thus = Sv" & OGY Dax Since, py === = Sy @ OFZ ue Dax ae In the same way, the expectation value < K > of the kinetic energy is given by = [iw @& DRG, tdx ne a =Rev@o(-s =) wOs, tax @2) This equation can be expressed in a simple form: he poo a (a =-Sfe yt ) am laY 5 ( i Integrating by parts Tr ayyt® : =-h ay — (7 av ay all Ox) Loe ax “ax The firs term on the right hand is zero, because according to the normalization condition; Sv ax = 1 Hence, = = j* ¥ Wax (3) 2m--% ax * ax 2 00 jayl2 =2s2 ee) dx (4)3 Schrodinger Wave Equations and Applications 2.8 Postulates of Quantum Mechanics Quantum mechanics is based on the Schrodin yQ%y, Zt) called the wave-function is introd motion. On the basis of prior discussion, we single-particle system. (1) There is always a complex wave function (x,y, 2 t)associated with a system consisting of a particle moving in a conservative field, where x, y, z ate the space coordinates and tis the time. This function describes the behaviour of the system, in accordance with the principle of uncertainty. (2) With every observable dynamical quantity there is an operator. All the operators have eigen- functions and eigen-values. The method of forming the Schrodinger wave equations is explained below. () To obtain the three-dimensional time-dependent Schrodinger wave equation, we equate the two operators for the total energy E —Eyevesine am x luced to represent the wave associated with a particle in are now able to give five postulates so as to describe a Now operate on the wave-function (x,y, z, t), we get; Ro — nau : -Evty+vy = in& @5) ‘This is the required equation. (i To obtain the three-dimensional time-independent Schrodinger equation, we assume (X,Y, 2) to : be the eigen-function of the total energy operator, [-2-V? + V]. Therefore, we get 1 -sv + yl y=Ey 6) This is the required equation. (iii) To obtain the time-dependent part of the Schrodinger equation, we assume f(t) to be the eigen- ap ON function of the total energy operator nZ . Therefore, we get, ih 22 = Ey This is the required equation. ‘ a (3) The wave function w(x, y, z, t) and its partial derivatives 5°,5~,5, must be finite, continuous and single valued for all values of x,y,zand t. (4) The product (x,y, z, ty" (x,y, z,t), where y" is the complex conjugate of y, is always a real quantity. The product is called the probability density and yy" dV is interpreted as the probability that the particle will be found in the volume element dt,at x,y,z and time t. Since, the total probability that the particle will be somewhere in space must be equal to 1, we haves SE, wy dt =1 ‘The integral is taken over all space. (5) The average or expectation value of a physical observable « with which an op: is defined by = f° y'@ydt, where y is a normalized wave-function. The inte erator @ is associated gral being taken over all space.34 Schrédinger Wave Equations and Applications ry 2.9 Applications of Schrodinger Equati 2.9.1 Free Particle Equation A particle does not experience any external force and is thus said to be free particle. Such kind of particle has definite total energy and definite momentum. But the exact position of particle is completely unknown. ‘Suppose, the motion of the particle of mass m is along the x-axis. Let no force be acting on the particle such that the potential energy of the particle is zero i-e., V(X) = 0 , so the time-independent Schrodinger wave equation for such kind of particle will be; a -ESV = gy (For V(x) = 0) 2m dx? where E is the total energy of the particle. on S44 Ey =0 G7 o, S4+"F Ey =0 Or wey key =0 where, k= _|® Or, = (8) As the particle may be anywhere in the space and does not bound within the limits so the Eq, (37) cannot be solved using the general solution of the differential equation, with boundary conditions ‘That’s why the energy given by Eq, (38) of a free particle is not quantized as it is not bound within a system. 2.9.2 Particle in a Box When the motion of a particle is confined to a limited region such that the particle moves back and forth in the region, the particle is said to be in a bound state. If one-dimensional motion of a particles assumed to take place with zero potential energy over a fixed distance and if the potential energy is assumed to become infinite at the extremities of the distance, it is described as a particle in a one- dimensional box. This is the simplest example of all motions in bound states. But in practice such # motion is not possible. However, the Schrodinger equation will first be applied to study the motion of a particle in a one-dimensional box because the study will show how quantum numbers, discrete values of energy and zero-point energy arise. Particle in a one-Dimensional Box or Particle in an Infinitely Deep One-Dimensional Potential Well We consider the one-dimensional motion along x-axis of a particle of mass m in a hollow rectangulat box having perfectly rigid walls. Let the origin be at one comer of the box and the sare be perpendicular to the parallel opposite wall. Let a be the distance between the walls so that the fn along the x axis confined between x = 0 and x = aas in Fig. 2.1 sce35 thrddinger Wave Equations and Applications Fig. 2.1 One dimensional infinite square well Suppose inside the box, ic, in the region O a) “As the particle must exist somewhere inside the box, the total probability that the particle is somewhere in the box must be unity. Therefore, using normalisation condition, we have 2 Soly,Go/ dx = 1 61) Sp A’sin? "dx = 1 & {24 [1 cos aml dx = Ae a 2nnx]? = |x- si -! 2 zm a Io The second term of the integrated expression becomes zero at both limits. Therefore, way 7 on A= fi 62) ; = function for a particle in one-dimensional box will be given as; (63) 2.3. It is evident that the wave- has three nodes at x = 0% = Hence, the exact wa wd ‘The wave-functions for the first three values of n are shown in Fig. function y, has two nodes at x = 0 and at x = a. The wave function W,Schrodinger Wave Equations and Applications 2,2 ~ : odes atx = 0,X= 2, = Hand atx - 2 Thus 2/2 and at x=. The wave function y, has four nodes ; the wave-function y,, will have (n+1) nodes ° eo a * Fig. 2.3. Wave functions Fig. 2.4 Probability densities 2.9.3 Particle in a Finite Potential Well Potential energies are never infinite in the real world but potential wells with barriers of finite height certainly do exist. A physical example of this quantum mechanical problem can be thought as the 2 particle trying to escape out the Coulomb barrier. Let us suppose a particle of mass m is bound in a square well (Fig. 2.5) which is Vp high and width is ‘a’ and contains a particle having energy E less than Vo.According to classical mechanics , this partice can strike and can bounce back or reflect back from the two walls without entering regions I and Il but from the quantum mechanics viewpoint it can bounce back and forth and has the probability of entering into the regions I and III even when E is less than Vp (E < Vo) ; ° * : - 2.5. A square well with finite barriers. So let us say, V = Vo be the potential energy in region (1): x < 0 V=0 the potential energy in region (II): 0 a ‘The total energy E of the particle is less than Vo.The time inde S ae Ss sedan Schrodinger wave equations for the three regions can be written acs Oe ca ee 2m dx? oW, = Ew, yam On Gat ie Mo - Ey, =0 ay, On Gata By, =0 Where B= (54) Region (II): n? d? lente Ey. 2m dx? 2 ava 4 2mE Os “ae + ay, ame On Det ky, =0 Where k= [7 (55) Region (III): a@y, Sie gry, = (56) ‘The general solutions of these equations are of the form: y, = Ae® + Be“Bx 67) Vp = Csinkx + D coskx 68) 69) Wy = Geb* + He ‘The solutions to Eq, (57) and (59) are real exponentials and both yj, and y, must be finite everywhere, As e-8* > 00 as X > —00 and e®% — 00 as X > 00, so the coefficients B and G must be zero. Therefore, the allowed wave functions in regions (D and (III) are: 60) y, = Ae® (60) 61 y, = He wy f the particle inside the well, asin this ease the particle creases exponentially on both the sides, (60) and (61). Now, we have to find out probable energies of also has the probability to be outside the well outside the well, as shown by the eigen functions given PY ‘Although it rivative, we have: From the continuity condition of the wave function and its des @ Atx = 0, y,(0) = ¥,(0)hrddinger Wave F So, A=D ay ee And (BR). 7 (Bho A[Be®*], = 9 = [Ck coskx — Dk sinkx], = 0 Or BA =kC @ At x=ay,(@ = y,(@) So; Csinka + D coska = He~®* ands ()...7 (B).. Thus; [Ck coskx — Dk sinkx]x- = [-HBe~**] Or, kC coska— kD sinka = —BHe78* Dividing (65) by (64), we get KC coska~kD sinka _ Csinka?Deoska = ~® Substituting D =A and C= 2A , we get; KAcoska—KA sinia’__ Ea sinka + A coska kB coska ~ k? sinka o; =-B Bsinka+kcoska On cross-multiplying, we get; kB coska — k? sinka = ? sinka — kB coska Simplifying we get, 2kB coska = (k? — B?)sinka 2kB, ze For convenience we take the width of the potential well as 2b ie., a = 2b Thus, tan 2kb = ze 2tan kb 2kB y-tan?kb—_k?-B? Simplifying the equation we get; (k? — B?)tan kb = kB(1 — tan?kb) k?tan kb — kB — B2tan kb + kf tan?kb = 0 k(k tan kb — B) + B tan kb(k tan kb — B) = 0 (k tan kb — f)(B tan kb +k) = 0 Or; tan ka = ations (63) (64) (65) (66) 67) \d Applications 40 (62)4 Schrodinger Wave Equations and Applications ‘This equation gives: ~ Exher; ktankb = 8 (68) On, k cot kb = ~B ©) ‘These equations cannot be valid simultaneously because if we eliminate B between them, we get tan?*kb = —1. This makes k imaginary and B negative, One or the other of these equations will be satisfied for a certain set of values of B which may be represented as By, Ba, By » A set of energy eigen values Ep is given by B= Bh Vy - %oi (7) For the solution (68), these energy levels can be determined by a simple graphical method: Muluplying Eq. (68) by the half width b of the potential well we get; Or Ep kb tan kb = Bb Putting kb = & and Bb = n, we get Stang =n orn =§ tank 7) _ Pave® _ fem Since, B= JS andk = FF ‘Therefore, k? + B? = ate Or (kb)? + (Bb)? = 2atah™ 2mVob* _ Or + y= Seay 72) q 1 Where y= Cateye ‘This equation represents a circle of known radius (77™8°* y3 in the (&—n) plane, The first quadrant ig. (2.6). ‘Then the coordinates &n)of the point of intersection of the curve n) = § tank with the circle ate found. Knowing the value of n, the value of B an be found and hence the energy level F, ean be determined using Eq, (70). In this way, energy levels fi different values of Vgb” can be determined. Hy similar method, we can determine the energy levels of the solution of Eq, (69). In this case the eondinaten of the point of intersection of the curve 1) = ~Ecot§ with the same circle in the firet quadrant are found. of the circle of known radius is drawn ii Special cave: GY When Vy + &, then the solution of Hq, (68) ktan kb = 3 = 02 3 Appications per Wave Equasoas 20d APP = 22 ve Fig. 26. Graphical determination of the energy levels for a square well potential. Oz tankb=o kb =(2n+1) z an+1)2 eayentn? E, = GDEEE Energy for even eigen function 3) i) When Vp > ©, then for the solution of Eq. (68) k tankb =-k=0 Thus, kb = nm On rn)? 2h? “ Os, Ey = SE (energy for odd eigen function) 74) For the most generalised case ie. for a particle trapped in a one dimensional box of with infinite potentially hard wall, we can have as: When Vo > ©, then from Eqns. (68) and (69); kb = ny, where n = 1,2,3...... et _ teat E, =22¥ = emb? 2a? which already have been discussed for the case of particle in a one-dimensio; potential wall. al box with infinite ‘The plots for wave functions and probability densities for a particle in a finit similar as in the case of infinite well, except exponentially decaying wavefi Potential well will be etions and probability43 Schrodinger Wave Equations and Applications densities outside well on each side of the well in Fig, 2.7 (a), (b). It shows that the particle has a certain probability of being found outside the wall of the well. pa byt? a Nu? h x=0 x=L Nat é x=L @) @) Fig.2.7 (a)Wave functions (b) Probability densities of a particle in a finite potential well. The particle has certain probability outside the well. « Also, the wavelengths that fit into the well are longer than for an infinite well of the same width, the corresponding particle momenta are lower as A= ; . Hence, the energy levels in the above quantum mechanical problem are lower for each n than they are for a particle in an infinite well because some energy may transmit outside the well. 2.9.4 Particle at a Potential Barrier -The Tunnel Effect Consider a particle that strikes a potential barrier of height Vo such that E < Vo but the barrier has a finite width. The particle shows certain probability not necessarily great but not zero either of passing through the barrier and emerging on the other side. The particle lacks the energy to go over the top of the barrier but it can nevertheless tunnel through it. The higher the barrier and wider it is, lesser would be the chances that the particle can get through. ‘An example to this quantum mechanical problem is the alpha particles emitted by radioactive nuclei. It is seen that an alpha particle whose kinetic energy is only a few MeV is able to escape from a nucleus whose potential wall is 25MeV high. The probability of escape is so small that an alpha particle has to strike the wall around 10° or more times before it emerges but sooner of later it gets out. Tunnelling also takes place in certain semiconductor diodes in which electrons pass through potential barriers even though their kinetic energies are smaller than the barrier heights. A rectangular potential barrier of height Vo and width a for a particle is shown in Fig. 2.8. It extends cover the region (11) from x = 0 to x =a in which the potential energy, V of the particle will be constant equal to Vp on both the sides of the barrier. In regions (1) and (III), V = 0; this means that when the particle is in these regions, no forces act on it. Suppose a beam of particles travelling parallel to the x-axis from left to right, is incident on the potential barrier. In the regions(1) and (IID), the energy E of the particle is wholly kinetic and, in the region, (11) it is partly kinetic and partly potential. If E < Vothen according to classical mechanics, the probability of any particle reaching the region (III) after crossing the region (II) is zero. However, according to quantum mechanics, a particle may tunnel through a high potential barrier even having energy less than. that of potential barrier. ‘This tunnelling of a quantum mechanical particle, is termed as tunnel effect.“ ¢ Equations and Applications Fig. 2.8. Tunnel Effect Now let us find out the probability of tunnelling of a quantum mechanical particle. | Let y, (x), v2 (Xx) and y, (x) be the wavefunctions for the motion of particle in regions (1), (I) and (IID) respectively. The time independent Schrodinger wave equations for three can be written as; nae ae = EV, —0 1 then sinh? Ba >> 1 , therefore Eq, (97) can be written as T= ana (98) And we also have sinh Ba = 22%" = © (e801) en Ba g2Ba 2 >a So, from Eq, (98) we have 4E(Vo- E)49 Schrodinger Wave Hquations and Applications 16E (Vo~ EB) 3, Generally, the term V2, always is of the order 1, So, the approximate probability for tunnelling for a quantum mechanical particle having energy E < Vp, ca be find out with the expression given as; T= e72Ba Where ‘a’ is the width of the barrier nd B This is the expression for the transmission coefficient, when E < Vp Besides the explanation of the emission of a from the nucleus, the tunnel effect also provides explanations for the following phenomenon: a) The field emission of electrons from a cold metallic surface b) ‘The electrical breakdown of insulators ©) The reverse breakdown of semi-conductor diodes 4) The switching action of a tunnel diode ©) The emission of « particles from a radio-active element. 2.10 Harmonic Oscillator A harmonic motion takes place when a system of some kind vibrates about a equilibrium position. In classical mechanics, consider a particle of mass ‘m’ executing $.H.M along x axis about its mean position such that the displacement from the mean position be x. Then, according to the condition to perform SH.M, restoring force F will act on the particle to oppose its motion, ie. proportional to the displacement and will be directed opposite to this. Therefore, (99) Fa —x orF= —kx. Here, kis the constant of proportionality and is known as force constant or force per unit displacement. Now, according to the Newton second law of motion, “the acceleration produced, is defined as the force applied per unit mass of a moving object, ie. @x a? ~ m @ Or; we can write, F = m 5% (100) ae From Eqns. (99) and (100); ax _ ik c ae) Or, = -Ex ax, k GO, S4"x= 101 Ir, az tm* 0 (101) ‘This is the classical second order differential equation of simple harmonic motion. Now, the potential energy function V(x) that corresponds to Hooks law force can be obtained by calculating the work needed to bring a particle from x = 0 to x = x, against such a force, such that VO) = = PFO dx = k [Xx dx = Fkx?50 hdainger Wave Equations and Applications Anis plotted ax: Ivy ko! x ° Ty 2.9 Potential energy of a harmonic oscillator is proportional to x? where xis the displacement from mean position 3, the particle vibrates back ané The curve V(x) vs X is a parabola, If the energy of the oscillator is =A and x = Aqhere E and A are related by E = zka® Nov Let us solve this problem quantum mechanically, ve equation for the linear motion of a particle along the x axisis forth beaveen X The time independent Schroding wart Vw = Ew On ation 0 (102) (103) © is the total energy of the particle, V the potential energy and & the wave function of the patti which is tunction of x alone . Substituting, Esa and [FE = B in Eq, (103), we gets + (a— B*x?)y = 0 (104) Lect us introduce a dimensionless independent variable & such that; t= Bx ‘ og. Now. ia = Big Sub: si in Eq, (104) we gets Bae + (apy =0 on 2443-8) =0 ae 8 a 05 “The general solution of Eq, (105) is given bys51 Schrédinger Wave Equations and Applications e WE) = CUE)e = (106) Eq, (105) then takes the form as au ge 28a t G- DU =0 If we replace (§—1) by 2n, the above equation becomes the Hermite differential equation, The function U(E) snay be replaced with Hermite polynotial H. Thos, @H iv -2@ et 2nH = 0 (107) Thus, the solution of Eq, (105) is obtained by replacing U by Hermite polynomial H in Eq, (107). We get, ae W@) = CH@e"> In general, Wn) = CH, a@ere The solution is acceptable only for n = 0,1,2 Eigen values of Energy Since , _ 1=2n Thus, 5 = 2n+1 Or, a= (2n+1)B or, mE _ (2n +1) The restriction gives a corresponding restriction on E ice. E=(n+3) ef But, 4 | = vis the frequency of oscillations. The energy can thus be written as; on 2 3 E "(n +3)hv 1 2 = on E=(n+4)h(2nv) = (a +i)hw — Where,n = 0,12... (108) Eq, (108) represents that a harmonic oscillator can take only certain discrete energies separated by intervals hy, where v is the frequency of the classical oscillator and h is Planck’s constant. Conclusions drawn: 1, According to quantum mechanics, the energy levels are equally spaced and quantized as shown in Fig. 2.10