Module 2: Quantum Mechanics
Failure of classical mechanics
−β v
3 T
u(v ,T )= A v e Wien's distribution
2
8π v
u( v ,t )= 3 kT Rayleigh–Jeans distribution
c
Failure of classical mechanics
In contrast to classical assumption that a standing wave can
exchange any amount (continuum) of energy with matter,
Planck considered that the energy exchange between
radiation and matter must be discrete. He then postulated
that the energy of the radiation (of frequency ν) emitted by
the oscillating charges (from the walls of the cavity) must
come only in integer multiples of hν:
E = nhν, n = 1, 2, 3, ...........
2
8πv hv Plank’s distribution
u(v ,t )= 3 hv
c kT
e −1
Photoelectric effect
The photoelectric effect provides a direct confirmation for the energy quantization of light.
If the frequency of the incident radiation is smaller than the metal’s threshold frequency—
a frequency that depends on the properties of the metal—no electron can be emitted
regardless of the radiation’s intensity.
No matter how low the intensity of the incident radiation, electrons will be ejected instantly
the moment the frequency of the radiation exceeds the threshold frequency.
At any frequency above threshold frequency, the number of electrons ejected increases
with the intensity of the light but does not depend on the light’s frequency.
The kinetic energy of the ejected electrons depends on the frequency but not on the
intensity of the beam; the kinetic energy of the ejected electron increases linearly with the
incident frequency.
Photoelectric effect
K e =hv−W
k e =h(v−v 0 )
Compton effect
Wave-particle duality
Wave-particle duality
Wave-particle duality
Wave-particle duality
Wave-particle duality
Calculate the de Broglie wavelength for
(a) a proton of kinetic energy 70 MeV kinetic energy
(b) a 100 g bullet moving at 900 m s-1 .
Wave-particle duality
Experiments such as Compton effect or Double slit experiments suggest a dual nature of
both radiation and particle.
How can something exist as both particle and wave?
Dual behavior can in no way be reconciled within the context of classical physics, for
particles and waves are mutually exclusive entities.
Quantum mechanics, however, provides the proper framework for reconciling the particle
and wave aspects of matter.
In quantum mechanics, any object can be described with a wave function
ψ (r ,t )= Aei(k . r−ω t)
Heisenberg’s uncertainty principle
According to classical physics, given the
initial conditions and the forces acting on
a system, the future behavior (unique
path) of this physical system can be
determined exactly.
Since a particle is represented within the
context of quantum mechanics by means
of a wave function corresponding to the
particle’s wave, and since wave functions
cannot be localized, then a microscopic
particle is somewhat spread over space
and, unlike classical particles, cannot be
localized in space.
Heisenberg’s uncertainty principle
h ℏ
Δ x Δ p x= =
4π 2
Both, position and momentum of a
microscopic particle can not be measured
simultaneously with accuracy.
If one tries to determine the position of a
subatomic particle with high accuracy,
then momentum of the particle will have a
large uncertainty and vice-versa.
h ℏ
Δ E Δ t= =
4π 2
In contrast to classical physics, quantum
mechanics is a completely
indeterministic theory.
Heisenberg’s uncertainty principle
Estimate the uncertainty in the position of (a) a neutron moving at 5 x 106 ms-1 and (b) a 50
kg person moving at 2 ms-1.
Probabilistic interpretation
In quantum mechanics the state of a particle is described by a wave function (r, t)
corresponding to the de Broglie wave of this particle.
2
|ψ| Probability density
The probability of finding a particle at time t in an interval r and r+dr is
2 3
| | d r
ψ
∞
2 3
∫ |ψ| d r=1
−∞
The main question now is, how does one determine the wave function O of a particle?
Wave function
ψ ( r ,t )= Aei(k . r−ω t)
1. (r,t) is complex, therefore
(r,t) = A(r,t) + iB(r,t), here both A and B are real
2. Complex congugate of (r,t) is *(r,t)
*(r,t) = A(r,t) – iB(r,t)
2
3. |ψ (r ,t )| can be defined as
2
|ψ (r ,t )| = (r,t) *(r,t) = A2(r,t) + B2(r,t)
(r,t) itself has no physical interpretation
Wave function
ψ ( r ,t )= Aei(k . r−ω t)
1. (r,t) must be continuous and single-valued everywhere.
2. ∂ ψ (r , t) , ∂ ψ (r , t) , and ∂ ψ (r , t) mus be continuous and single valued everywhere.
∂x ∂y ∂y
2 3
3. (r,t) must be normalizable i.e., ∫|ψ| d ris finite everywhere.
Schrodinger equation
ψ ( x , t)= Ae i(k . x−ω t )
Time dependent
Schrodinger eqn
Time independent
Schrodinger eqn
Operators PE
TE
KE
Operators
Free particle
Time independent Schrodinger eqn
2 2
−ℏ ∂ ψ
2
+V ( x) ψ = E ψ
2m ∂ x
For the free particle, V(x) = 0
2 2
−ℏ ∂ ψ ∂2 ψ 2 mE ∂2 ψ 2 mE
= Eψ = − ψ + 2 ψ =0
2 m ∂ x2 ∂x
2
ℏ
2
∂x
2
ℏ
ψ = Acos(kx)+Bsin (kx) 2 mE
ψ = Ce ikx + Deikx
k =
√ ℏ2
Particle in a 1-D box
For 0<x<L, Schrodinger wave eqn for the
particle is
2 2
−ℏ ∂ ψ
2
= Eψ
2m ∂ x
ψ (x) = Acos(kx )+ Bsin(kx)
2 mE
k =
√ ℏ2
At boundries i.e, x = 0
ψ ( x=0) = Acos(k 0)+ Bsin(k 0) = 0 A=0
and x = L
ψ ( x=L) = Acos(kL)+Bsin(kL) = 0 sin (kL)=0
0
Particle in a 1-D box
nπ
sin (kL)=0 kL=n π or k =
L
nπx
ψ ( x) = Bsin( )
L
k 2 ℏ2 n2 h2
E = E =
2m 8 mL2
h2 2 2
Δ E = En +1 −E n = 2
((n+1) −n ) =(2 n+1) E1
8 mL
Particle in a 1-D box
Expectation value of x
∫ ψ∗ψ dx=1
all space L
2 nπ x 2 nπ x
L
∫ B sin (
nπx
L
) Bsin(
nπx
L
)=1
⟨ x⟩ = ∫
0 √ L
sin (
L
L
)x
√L
sin (
L
) dx
0 2 2 nπx
L ⟨ x⟩ = ∫ L sin ( L ) x dx
2 2 nπ x 0
∫ B sin ( L
) dx= 1 L
0 ⟨x ⟩ =
2 2
B =
2
√ L
nπ x
ψ( x ) =
√ L
sin(
L
)
Particle in a 1-D box
Expectation value of px
L
2 nπx 2 nπx
⟨ px ⟩ = ∫
0 √ L
sin(
L
L
)(−i ℏ ∂ )
∂x L√ sin(
L
)dx
−2i ℏ nπ x ∂ nπx
⟨ px ⟩ =
L 0
∫ sin( )
L ∂x
sin (
L
)dx
L
−2i n π ℏ nπ x nπx
⟨ px ⟩ = 2 ∫ sin( ) cos( )dx
L 0 L L
⟨ px ⟩ = 0
2 2 1 1 2 2
⟨ x ⟩=L ( − 2 2 ) Δ x=√ ⟨ x ⟩−⟨ x⟩
3 2n π 2 2
Δ p x = √ ⟨ p x ⟩−⟨ p x ⟩
2 π2 ℏ 2 n 2
⟨ p x ⟩= 2 Δ x Δ p x =?
L
Tunneling Effect
Tunneling is a unique phenomena in quantum mechanics
According to classical mechanics
transition from Region I to
Classical path Region II is possible only if
kinetic energy of particle is
grater than height of the
potential barrier.
However, for quantum particles
Quantum path
Region I Region II this transition is possible even if
kinetic energy of the particle is
less than the height of the
potential barrier.
x
ψ A = Ae−ik 1
ψC =Ce
−ik 2 x
A Simple
Potential Step ψ B =Beik 1 x
CASE I : Eo > V
V=0
Region 1 Region 2
In Region 1:
In Region 2:
ψ A = Ae−ik x 1
ψC =Ce
−ik 1 x
A Simple
Potential Step ψ B =Beik 1 x
CASE I : Eo > V
V=0
Region 1 Region 2
x
ψ1= Ae
−ik 1 x
+ Be
ik 1 x ψ2=Ce−ik 1
is continuous:
is continuous:
ψ A = Ae−ik x 1
ψC =Ce−ik 2 x
A Simple
Potential Step ψ B =Beik 1 x
CASE I : Eo > V
V=0
Region 1 Region 2
Quantum Electron Currents
Given an electron of mass
that is located in space with charge density
and moving with momentum corresponding to
… then the current density for a single electron is given by
x
ψ A = Ae−ik 1
ψC =Ce
−ik 2 x
A Simple
Potential Step ψ B =Beik 1 x
CASE I : Eo > V
V=0
Region 1 Region 2
x
ψ A = Ae−ik 1
ψC =Ce
−ik 2 x
A Simple
Potential Step ψ B =Beik 1 x
CASE I : Eo > V
V=0
Region 1 Region 2
1
ψ A = Ae−ik x 1
ψC =Ce kx
A Simple
Potential Step ψ B =Beik 1 x
CASE II : Eo < V
V=0
Region 1 Region 2
In Region 1:
In Region 2:
ψ A = Ae−ik x 1
ψC =Ce kx
A Simple
Potential Step ψ B =Beik 1 x
CASE II : Eo < V
V=0
Region 1 Region 2
ψ1= Ae −ik 1 x
+ Be
ik 1 x ψ2=Ce kx
is continuous:
is continuous:
x
ψ A = Ae−ik 1
ψC =Ce kx
A Simple
Potential Step ψ B =Beik 1 x
CASE II : Eo < V
V=0
Region 1 Region 2
Total reflection Transmission must be zero
Quantum Tunneling Through a Thin Potential Barrier
Total Reflection at Boundary
Frustrated Total Reflection (Tunneling)
2a = L
ψ A = Ae−ik1 x ψC =Ce kx ψ F =Fe−ik x
1
A Rectangular
Potential Step ψ B =Beik 1 x
ψ D =De−kx
CASE II : Eo < V
V=0 V=0
Region 1 Region 2 Region 3
In Regions 1 and 3:
In Region 2:
for Eo < V :
2a = L
A Rectangular
Potential Step
Real part of Ψ for Eo < V, shows
hyperbolic (exponential) decay
in the barrier domain and
decrease in amplitude of the
transmitted wave.
x=0 x=L
for Eo < V :
Transmission Coefficient versus Eo/V
for barrier with
Flash Memory
Stored
Electrons
Erased Programmed
“1” “0”
Image is in the public domain
CONTROL GATE Insulating
Floating
Tunnel Oxide Dielectric Gate
FLOATING GATE
SOURCE DRAIN
CHANNEL
Channel
Substrate
Electrons tunnel preferentially when a voltage is applied
Application of Tunneling:
Scanning Tunneling Microscopy (STM)
Due to the quantum effect of “barrier penetration,” the electron
density of a material extends beyond its surface:
One can exploit this to
measure the electron material STM tip
density on a material’s ~ 1 nm
surface:
material
STM tip
Sodium atoms
on metal:
E0 V
Single walled
carbon nanotube:
STM images
Image originally created
by IBM Corporation
© IBM Corporation. All rights reserved. This content is excluded from our Creative Commons
license. For more information, see http://ocw.mit.edu/fairuse. Image is in the public domain
Example: Barrier Tunneling
• Let’s consider a tunneling problem:
An electron with a total energy of Eo= 6 eV V0
approaches a potential barrier with a height of Eo
V0 = 12 eV. If the width of the barrier is metal metal
L = 0.18 nm, what is the probability that the 0 L x
air
electron will tunnel through the barrier? gap
Question: What will T be if we double the width of the gap?