Electrical Properties of Material

Lecture – 2 Crystal, Lattice and Unit Cell

A. A. M. Shah Sadman
EECE, MIST
Dhaka

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 Crystalline Solid
• A crystalline solid is a solid in which the atoms
bond with each other in a regular pattern to form a
periodic collection (or array) of atoms.

• The most important property of a crystal is

periodicity.

• The particles from which a crystalline solid is

constructed (atoms, ions or molecules) are packed
together fairly tightly. As a result, it is not easy to
compress a crystalline solid.

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 Lattice, Basis and Unit Cell
• A lattice is an infinite periodic array of geometric points in space, without any
atoms. This 3D arrangement is called Crystal Lattice also known as Bravais Lattices.

• In a crystal lattice, each atom, molecule or ions (constituent particle) is represented

by a single point.

• These points are called lattice site or lattice point.

• When we place an identical group of atoms (or molecules), called a basis, at each
lattice point, we obtain the actual crystal structure.

• Unit cell is the smallest unit of a crystal that constructs the whole crystal.

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 Lattice and Basis

Lattice Lattice with single Unit Cell

basis atom

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 Types of Unit Cell

The atom is at
every corner
The atom is at The atom is at The atom is at
the center of the center of the center of
the body each face two opposite
face
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 Simple Cube Unit Cell

• The simplest unit cell is Simple Cubic (SC).

• This crystal structure is just a cube with an atom on each corner.
• The simple cubic unit cell may also be called “primitive cubic” and thus
abbreviated as cP.
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 Simple Cube Unit Cell

Total number of atom in a

SCC unit cell = (8 x 1/8) = 1
8 corners

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 Face Centered Cubic (FCC) Cell

• FCC unit cell structure consists of atoms arranged in a cube where each corner of the
cube has a fraction of an atom with six additional full atoms positioned at the center
of each cube face.
• The atoms at the corner of the cube are shared with eight other unit cells. As such,
each corner atom represents one-eighth of an atom.
• The atoms at each face of the unit cell are shared with adjacent unit cells; therefore,
each face atom represents half of an atom.
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 Face Centered Cubic (FCC) Cell

Total number of atom in a FCC unit cell = (8 x 1/8) + (6 x 1/2) = 4

8 corners 6 faces

Example: Aluminum, calcium, nickel,

4/17/2022 A. A.copper,
M. Shah Sadmansilver, iridium, platinum, gold, lead. 9
 Body Centered Cubic (FCC) Cell

• A body-centered cubic unit cell structure consists of atoms arranged in a cube

where each corner of the cube shares an atom and with one atom positioned at
the center.
• The atom at the corners of the cube are shared with eight other unit cells. As
such, each corner atom represents one-eighth of an atom.
• Iron (Fe) has BCC structure.
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 Body Centered Cubic (FCC) Cell

Total number of atom in a BCC unit cell = (8 x 1/8) + 1 = 2

1 body
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 End Centered Cubic (ECC) Cell

• In end-centered cubic unit cell, 8 atoms are

located on 8 corners of the cube and 1 atom
each is present on two opposite faces of the
cube.

• Number of atoms in an end centered cubic

unit cell= 8×1/8 + 2 x ½ = 2 atoms

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 Hexagonal Close Packed (HCP) Structure

• The structure has three layers of atoms.

• In both the top and bottom layers, there are six atoms that arrange themselves in the
shape of a hexagon and a seventh atom that sits in the middle of the hexagon.
• The middle layer has three atoms nestled in the triangular grooves of the top and
bottom plane.
4/17/2022 Example: Beryllium, Cadmium, Magnesium,
A. A. M. Shah Sadman Titanium, Zinc, Zirconium. 13
 Hexagonal Close Packed (HCP) Structure

12 corner atoms = 12 x 1/6 = 2

3 midplane atoms = 3 x 1 = 3
2 face centered atom = 2 x 1/2 = 1 So, total = 6
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 Unit Cell Parameters

• A unit cell is characterized by six

parameters.
• These parameters are three edges (a, b and
c) and angles between them (α, β and γ).
• Dimensions along the edges of a unit cell is
represented by a, b and c.
• Edges of unit cell may or may not be
mutually perpendicular.
• The angle between b and c is represented
by α, between a and c by β and between a
and b by γ.

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 Types of Bravais Lattice
• There are only 14 possible Bravais Lattices.
• The shapes depend on the cell length and their respective angles.
1. Cubic Lattice
• 3 types
• In these types of lattices all sides are of equal length.
• The angles between their faces are 900 in a cubic lattice.

a=b=c,
α = β = γ = 90°

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 Simple Cubic

BCC Unit Cell

4/17/2022 FCC Unit Cell

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 Types of Bravais Lattice

a = b ≠ c, α = β = γ= 90° a ≠ b ≠ c, α = γ = 90°, β ≠ 90°

2. Tetragonal Lattice: 3. Monoclinic Lattice:

• 2 types • 2 types.
• One side is different in length and • Unequal sides and two faces have
angles between faces are equal to A.90°.
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angles other than 90°. 18
 Types of Bravais Lattice
4. Orthorhombic Lattice:
• 4 types.
• They have unequal sides.
• The angles between their faces are equal to 90°.

a ≠ b ≠ c, α = β = γ= 90°
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 Types of Bravais Lattice
5. Hexagonal lattice: 6. Rhombohedral Lattice:
• 1 type only. • 1 type.
• One side is different in length. • All sides equal and angles on two faces
• Two angles are 900, one is 1200. are less than 90°.

a = b ≠ c, α = β = 90°, γ = 120° a = b = c, α = β = γ ≠ 90°

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 Types of Bravais Lattice
7. Triclinic Lattice
• Triclinic lattice has only one type of lattice.
• It has unequal sides and none of the angles between faces are equal to 90°.

a ≠ b ≠ c, α ≠ β ≠ γ
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 Coordination Number (CN)
• The coordination number of a crystal is the number of atoms that are closest to a
specified atom.
• ‘Ligancy’ is another term used to refer to the coordination number of an atom.
• The atoms, ions, or molecules that are bonded to the central atom (or
molecule/ion) are called ligands.

Simple Cubic Lattice

Coordination Number = 6

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 Coordination Number (CN)
BCC Lattice FCC Lattice

Coordination Number = 8
Coordination Number = 12
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 Coordination Number (CN)
HCP Lattice

Coordination Number = 12
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 Atomic Radius and Edge Length
Atomic Radius (R): The radius of an atom.
Edge Length (a): Length of the sides of a crystal.

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 Atomic Radius and Edge Length of SCC

a
a
a

a = 2R

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 Atomic Radius and Edge Length of BCC

B
C
a 4R
a √2a
a
√2a
A C A
a D
a
a

a = 4R/√3

Distance between two atoms, d = R+R = 2R

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 Atomic Radius and Edge Length of FCC

a = 4R/√2

Distance between two atoms, d = 2R =a/√2

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 Atomic Packing Factor (APF)
• Atomic packing factor, packing efficiency, or packing fraction is the fraction
of volume in a crystal structure that is occupied by constituent particles.
• It is a dimensionless quantity and always less than unity.

𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑐𝑐𝑢𝑝𝑖𝑒𝑑 𝑏𝑦 𝑎𝑡𝑜𝑚𝑠

𝐴𝑃𝐹 =
𝑡𝑜𝑡𝑎𝑙 𝑣𝑜𝑙𝑢𝑚𝑒

𝑍 × 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑛 𝑎𝑡𝑜𝑚
𝐴𝑃𝐹 =
𝑎3
4
𝑍 × 3 𝜋𝑟 3
𝐴𝑃𝐹 =
𝑎3
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 Atomic Packing Factor (APF)

APF of SC = 52 % APF of BCC = 68 % APF of FCC = 74 % APF of HCP = 74 %

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 Miller Indices
• Miller Indices/Index is used to indicate the direction of lattice point or any
plane inside a crystal lattice.
• Miller Indices is represented by three letters – hkl within brackets.
• Miller Indices will always be integer.
• Two major representations are-

(hkl)
[hkl]

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 Miller Indices [hkl]

• 1D:

a p r q

(p → q) 𝑟 = 𝑛𝑎 = 3𝑎 = [3]
(q → p) 𝑟 = −𝑛𝑎 = −3𝑎 = [3ത ]

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 Miller Indices [hkl]

• 2D: p
y
b
x
a q

(p → q) 𝑟 = 𝑛1𝑎 + 𝑛2𝑏 = 3𝑎 − 2𝑏 = [3, 2ത ]

(q → p) 𝑟 = 𝑛1𝑎 + 𝑛2𝑏 = −3𝑎 + 2𝑏 = [3ഥ, 2]

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 Miller Indices [hkl]

• 3D:

z
c
b y
a p
x

(0 → p) 𝑟 = 𝑛1𝑎 + 𝑛2𝑏 + 𝑛3𝑐 = 1𝑎 + 0𝑏 + 0𝑐 = [1,0,0]

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 Miller Indices (hkl) of a plane
1. Given the Miller Indices. Find the plane.

(1,0,0) (0,1,0)

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 Miller Indices (hkl) of a plane
1. Given the Miller Indices. Find the plane.

(1,1,0) (1ത , 0,0)

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 Miller Indices (hkl) of a plane
2. Given the plane. Find the Miller Indices.

1. Determine intercepts along axes in terms of parameters

x y z
c 1a ∞b ∞c
b 2. Divide these by lattice parameters.

1a/a ∞b/b ∞c/c

a
1 ∞ ∞
1 1 1
3. Take reciprocal (ℎ𝑘𝑙) = (1,0,0)
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