Course no: Phy 1111

Course Title: Physics

 Contents
 Atomic Structure
 Electronic Structure of Materials
 Semiconductors
 Magnetic Materials
 Thermoelectricity
 Photoelectricity
 Sound
 Physical optics
Atomic Structure
 Atomic Structure

 Rutherford gold foil experiment

 Rutherford scattering formula: Impact parameter,
Scattering angle, Scattering cross-section
 Atomic spectra and Bohr model
 Franck-Hertz experiment
 Atomic arrangement in solids
 Bonds in solids
 Atomic Models

J. J. Thomson Ernest Rutherford Niels Bohr

 Thomson Model

 A positively charged blob with sprinkled negatively charged electrons in

it.
 "raisin pudding" model of the atom.
 In the Rutherford scattering experiment, Geiger and Marsden showed that
1 in 8000 alpha particles scattered with angle >90 degrees.
 Rutherford gold foil experiment

Ernest Rutherford Hans Geiger Ernest Marsden

Rutherford gold foil experiment
Impact parameter and Scattering angle
Rutherford Scattering Formula

𝑭
 Rutherford Scattering Formula
𝑁𝑖 𝑛𝑡𝑍 2 𝑒 4
𝑁 𝜃 =
8𝜋𝜖0 2 r 2 KE 2 𝑠𝑖𝑛4 (𝜃/2)
Assumptions:
 Alpha particle and nucleus are considered as point masses.
 The repulsive electric force between alpha particle and
nucleus is the only interaction acting.
 Nucleus is massive as compared to alpha particle.

Relation between impacr parameter and scattering angle

𝜃 4𝜋𝜖0 KE
𝑐𝑜𝑡 = 𝑏
2 𝑍𝑒 2
 Relation between b and 𝜃
[Rutherford model → accepted:
cause → formula agreed experiment]

𝑭
𝑚 ⇒ 𝑚𝑎𝑠𝑠 𝑜𝑓 𝑡ℎ𝑒 𝑎𝑙𝑝ℎ𝑎 𝑝𝑎𝑟𝑡𝑖𝑐𝑙𝑒
𝑣 ⇒ 𝑣𝑒𝑙𝑜𝑐𝑖𝑡𝑦 𝑜𝑓 𝑡ℎ𝑒 𝑎𝑙𝑝ℎ𝑎 𝑝𝑎𝑟𝑡𝑖𝑐𝑙𝑒
𝑝1 ⇒ 𝑖𝑛𝑖𝑡𝑖𝑎𝑙 𝑚𝑜𝑚𝑒𝑛𝑡𝑢𝑚 𝑜𝑓 𝑎𝑙𝑝ℎ𝑎 𝑝𝑎𝑟𝑡𝑖𝑐𝑙𝑒
𝑝2 ⇒ 𝑓𝑖𝑛𝑎𝑙 𝑚𝑜𝑚𝑒𝑛𝑡𝑢𝑚 𝑜𝑓 𝑎𝑙𝑝ℎ𝑎 𝑝𝑎𝑟𝑡𝑖𝑐𝑙𝑒

𝑏 → impact parameter
𝜃 → scattering angle
𝜙 → angle between 𝐹Ԧ and Δ𝑃
 Relation between b and 𝜃
Change in momentum of alpha particle
=Impulse given by nucleus
Ԧ
∆𝑝Ԧ = 𝑝Ԧ2 − 𝑝Ԧ1 = න 𝐹𝑑𝑡 𝑭

[Nucleus → stationary
∴ K. [Link] = K. [Link]
⇒ 𝑣𝑖 = 𝑣𝑓 = 𝑣]

Magnitude of momentum of alpha particle

is the same before and after the collision
𝑝1 = 𝑝2 = 𝑚𝑣 … … … 1
 Relation between b and 𝜃
From Figure:
Δ𝑃 𝑚𝑣
=
𝑠𝑖𝑛𝜃 sin 𝜋 − 𝜃
2
𝜃
⇒ Δ𝑃 = 2𝑚𝑣𝑠𝑖𝑛 … … … 2
2
Ԧ and momentum change Δ𝑃 → same direction
Impulse ‫𝑡𝑑𝐹 ׬‬
Ԧ
magnitude ‫𝑡𝑑𝐹 ׬‬ = ‫ … 𝑡𝑑𝜙𝑠𝑜𝑐𝐹 ׬‬3
∞
𝜃
2 , 3 → 2𝑚𝑣𝑠𝑖𝑛 = න 𝐹𝑐𝑜𝑠𝜙𝑑𝑡 … 4
2
𝜋−𝜃 −∞
2
𝜃 𝑑𝑡
⇒ 2𝑚𝑣𝑠𝑖𝑛 = න 𝐹𝑐𝑜𝑠𝜙 𝑑𝜙 … 5
2 𝑑𝜙
𝜋−𝜃
− 2
 Relation between b and 𝜃

F and radius vector → same direction → 𝜏 on alpha = 0

𝑑𝐿
⇒ 𝐿 = 𝑐𝑜𝑛𝑠𝑡. ∵ 𝜏 =
𝑑𝑡
⇒ 𝐿 = 𝑚𝜔𝑟 2 ∵ 𝐿 = 𝐼𝜔
From another definition:
𝐿 = 𝑟𝑃 = 𝑏𝑚𝑣

Thus, 𝑚𝜔𝑟 2 = 𝑚𝑣𝑏

𝑑𝜙 2
⇒𝑚 𝑟 = 𝑚𝑣𝑏
𝑑𝑡 2
𝑑𝑡 𝑟
⇒ = ……… 6
𝑑𝜙 𝑣𝑏
 Relation between b and 𝜃
Electrostatic force between alpha particle and target nucleus:
1 2𝑍𝑒 2
𝐹= 2
……… 7
4𝜋𝜖0 𝑟
6 , 7 → 5 : 𝜋−𝜃
2
𝜃 1 2𝑍𝑒 2 𝑟2
2𝑚𝑣𝑠𝑖𝑛 = න 2
𝑐𝑜𝑠𝜙 𝑑𝜙
2 4𝜋𝜖0 𝑟 𝑣𝑏
𝜋−𝜃
−
2
𝜃 2𝜋𝜖0 𝑚𝑣 2
⇒ cot = 2
𝑏
2 𝑍𝑒
θ 4πϵ0 KE
⇒ cot = 2
𝑏
2 Ze
 Rutherford Scattering Formula

Alpha particles with impact parameter 0 to 𝑏

→ scattered through an angle 𝜃 or more
Area, 𝜎 = 𝜋𝑏 2

Scattering cross section, 𝜎 = 𝜋𝑏 2

t→ thickness of the foil

𝑛 → number of atoms per unit volume
𝑛𝑡𝐴 → number of target nuclei in area A
𝑛𝑡𝐴𝜎 → aggregate cross-section for
scattering of 𝜃 or more
 Rutherford Scattering Formula
Fraction of incident alpha particles scattered through an angle 𝜃 or more
alpha particle scattered by 𝜃 or more
𝑓=
incident ∝ particles
aggregate cross−section
⇒𝑓=
target area
𝑛𝑡𝐴𝜎
⇒𝑓=
𝐴
⇒ 𝑓 = 𝑛𝑡𝜎
⇒ 𝑓 = 𝑛𝑡𝜋𝑏 2

At 𝜃 or more →
2
𝑍𝑒 2 2
𝜃
𝑓 = 𝜋𝑛𝑡 cot
4𝜋𝜖0 𝐾𝐸 2
 Rutherford Scattering Formula
Fraction of incident alpha partticles scattered between
𝜃 and 𝜃 + 𝑑𝜃 →

2
𝑍𝑒 2 𝜃 2
𝜃 1
𝑑𝑓 = −𝜋𝑛𝑡 2 cot −𝑐𝑜𝑠𝑒𝑐 𝑑𝜃
4𝜋𝜖0 𝐾𝐸 2 2 2

𝐴𝑟𝑒𝑎:

𝑑𝑆 = 2𝜋𝑟𝑠𝑖𝑛𝜃 𝑟𝑑𝜃

𝜃 𝜃
⇒ 𝑑𝑆 = 4𝜋𝑟 2 sin cos 𝑑𝜃
2 2
 Rutherford Scattering Formula
𝑁𝑖 → Total number of 𝛼 particles strike the foil

Number of scattered per unit area into d𝜃 at 𝜃:

𝑁𝑖 𝑑𝑓
𝑁 𝜃 =
𝑑𝑆

𝑁𝑖 𝑛𝑡𝑍 2 𝑒 4
𝑁 𝜃 =
8𝜋𝜖0 2𝑟2 𝐾𝐸 2 sin4 𝜃
2
 Experimental verification of Rutherford Scattering
𝑁𝑖 𝑛𝑡𝑍 2 𝑒 4
𝑁 𝜃 =
8𝜋𝜖0 2𝑟2 𝐾𝐸 2 sin4 𝜃
2

1 𝑁 𝜃 ∝𝑡
2 𝑁 𝜃 ∝ 𝑍2
1
3 𝑁 𝜃 ∝
𝜃
sin4
2
1
4 𝑁 𝜃 ∝
𝐾𝐸 2
 Distance of closest approach
The closest approach to the nucleus can be
calculated from conservation of energy by
simply setting the initial kinetic energy of the
alpha particle equal to the electrostatic
potential energy it has at the instant it stops
close to the nucleus.

2𝑒𝑍𝑒
𝑃. 𝐸. = = 𝐾. 𝐸.𝑖𝑛𝑖𝑡𝑖𝑎𝑙
4𝜋𝜖0 𝑅

2𝑍𝑒 2
⇒𝑅=
4𝜋𝜖0 𝐾. 𝐸.𝑖𝑛𝑖𝑡𝑖𝑎𝑙
𝑅

𝑅 is the distance of closest approach.

Mathematical Problem
 Atomic Spectra

Mercury spectra Hydrogen spectra Neon spectra

 Atomic Spectra
• Each element has characteristic line
spectrum
• Spectroscopy → Useful tool for analyzing
composition of unknown substance
• Spectrum of sunlight → has dark line [sun
is surrounded by some cooler gases that
absorbs light of certain wavelength]
• Other stars → This type of spectra →
1) which elements its atmosphere contains
2) whether the star is moving towards or
away from earth Hydrogen spectra
 Types of Atomic Spectra
 Continuous spectra: A continuous
spectrum can be produced by an
incandescent solid or gas at high pressure.
 Emission spectra: An emission spectrum
can be produced by a gas at low pressure
excited by heat or by collisions with
electrons.
 Absorption spectra: An absorption
spectrum results when light from a
continuous source passes through a cooler
gas, consisting of a series of dark lines
characteristic of the composition of the
gas.
Types of Atomic Spectra
Origin of Atomic Spectra
Origin of Atomic Spectra
 Atomic Excitation methods
Two methods:
 Collision with another particle
 Absorption of photon by atom

• Strong electric field applied between

electrodes in a Ne-filled tube → emission
of spectral radiation (reddish light)
• Hg vapour lamp → bluish light
 Origin of spectral line
Electrostatic force of attraction between nucleus and electron:
1 𝑍𝑒 2
𝐹𝑒 = 2
… … … (1)
4𝜋𝜖0 𝑟
Centrifugal force:
𝑚𝑣 2
𝐹𝑐 = … … … (2)
𝑟
System is stable if 𝐹𝑐 = 𝐹𝑒
𝑚𝑣 2 1 𝑍𝑒 2
⇒ = 2
……… 3
𝑟 4𝜋𝜖0 𝑟
Angular momentum of electron:
𝑛ℎ
𝑚𝑣𝑟 = … … … (4)
2π
𝑛ℎ
⇒𝑣= ……… 5
2𝜋𝑚𝑟
 Origin of spectral line
(5) in (3) →
𝑚 𝑛2 ℎ2 1 𝑍𝑒 2
2 2 2
=
𝑟 4𝜋 𝑚 𝑟 4𝜋𝜖0 𝑟 2
𝑛2 ℎ2 𝜖0
⇒𝑟= 2
… … … (6)
𝜋𝑚𝑍𝑒
𝑟 → radius of nth orbit
If 𝑛 = 1; 𝑟1 = 0.53 Å = 𝑎0 (Bohr radius)
𝑟𝑛 = 𝑛2 𝑎0
Using (5) and (6):
𝑛ℎ
𝑣=
𝑛2 ℎ2 𝜖0
2𝜋𝑚
𝜋𝑚𝑍𝑒 2
Velocity:
𝑍𝑒 2
𝑣= … … … (7)
2𝜖0 𝑛ℎ
 Origin of spectral line
Potential Energy: 𝑟
𝑍𝑒 2 𝑍𝑒 2
𝑃. 𝐸. = න 2
𝑑𝑟 = − ……… 8
4𝜋𝜖0 𝑟 4𝜋𝜖0 𝑟
∞
Kinetic Energy:
1 𝑍𝑒 2
𝐾. 𝐸. = 𝑚𝑣 2 = … … … 9 [From (3)]
2 8𝜋𝜖0 𝑟

Total Energy:
𝑍𝑒 2 𝑍𝑒 2
𝐸 = 𝑃. 𝐸. + 𝐾. 𝐸. = − +
4𝜋𝜖0 𝑟 8𝜋𝜖0 𝑟
𝑍𝑒 2
𝐸=−
8𝜋𝜖0 𝑟
 Origin of spectral line
Total Energy:
𝑍𝑒 2
𝐸=−
𝑛 2 ℎ 2 𝜖0
8𝜋𝜖0 2
𝜋𝑚𝑍𝑒
𝑚𝑍 2 𝑒 4
𝐸 = − 2 2 2 … (10)
8𝜖0 𝑛 ℎ
1
𝐸𝑛 ∝ 2
𝑛
𝐸1 = −13.6 eV = −2.18 × 10−18 J
𝐸1
𝐸= 2
𝑛
Ground state → 𝐸1 𝑛 = 1
Excited state → 𝐸2 , 𝐸3 , 𝐸4 , … 𝑛 = 2,3,4, …
𝑛 = ∞ → 𝐸∞ = 0; Electron is no longer bound to the nucleus
 Origin of spectral line
An electron in excited state → drops to lower state → lost energy is emitted as
photon (energy is given off at once)
Initial energy (Higher state) – Final energy (Lower state) = Photon energy
𝐸𝑖 − 𝐸𝑓 = ℎ𝜈
𝑚𝑒 4 1 1 ℎ𝑐
⇒− 2 2 2− 2 =
8𝜖0 ℎ 𝑛𝑖 𝑛𝑓 𝜆
1 𝐸1 1 1
⇒ =− 2 − 2
𝜆 𝑐ℎ 𝑛𝑓 𝑛𝑖
1 1 1
⇒ =𝑅 2− 2
𝜆 𝑛𝑓 𝑛𝑖
𝐸1
𝑅=−
𝑐ℎ
Hydrogen Energy level diagram
Atomic Spectra of H atom
 Effect of nuclear motion on spectral line
• Nuclear mass affects the wavelengths of spectral lines:
𝑚𝑀
• Reduced mass, 𝑚′ =
𝑚+𝑀
𝑚′ 𝑒 4
• Energy E′ = − 2 2 2
8𝜖0 𝑛 ℎ
1 1 1
= 𝑅𝑧 2 − 2
𝜆′ 𝑛𝑓 𝑛𝑖
𝑚′ 𝑒 4
𝑅𝑧 = − 2 3
′
8𝜖0 𝑐ℎ
𝑅𝑧 𝑚 𝑀 1
= = =𝑚
𝑅∞ 𝑚 𝑚 + 𝑀 +1
𝑀
• H𝛼 of 11𝐻 → 656.3 nm
• H𝛼 of 21𝐻 → 656.1 nm
 Hydrogen Spectra
• 1885 → JJ Balmer [study visible part of the
hydrogen spectrum]
• 𝐻𝛼 → red (656.3 nm) [n=3 to n=2]
• 𝐻𝛽 → blue (486.3 nm) [n=4 to n=2]
• 𝐻𝛾 → violet
• 𝐻𝛿 → violet
• 𝐻∞ → series limit (364.6 nm) [n = ∞ to n=2]
4
𝜆∞ =
𝑅
1 1 1
⇒ =𝑅 2− 2 𝑛1 = 1 → Lyman,
𝜆 𝑛1 𝑛2
𝑛1 = 2 → Balmer, 𝑛1 = 3 → Paschen,𝑛1 = 4 →
Brackett, 𝑛1 = 5 → Pfund
 Energy Levels and Excitation
• Positive energy → electron is free
• Ionization energy → The work needed to remove an electron from an atom in its
ground state (= −𝐸1 )
• Ground state energy = −13.6 eV
• Ionization energy = 13.6 eV
• Rydberg atom → Atom in states of high quantum number
• Excitation → The process of increasing the internal energy of an atom
• Ionization → The extreme type of excitation
• Critical potential → Minimum energy required to excite a neutral atom from its
ground state to higher state
 Energy Levels and Excitation

• Excitation potential (Radiation potential) (Resonance potential) → Energy required

to raise an atom from ground state to an excited state
• Ionization potential → Energy required to knock an electron completely out of an
atom
• Hydrogen → One ionization potential
• Helium → Two ionization potential
• 𝐻 → 𝐸1 = −13.6 eV, −3.4 eV, −1.51 eV
• Excitation potentials: 13.6 − 3.4 = 10.2 eV
• 13.6 − 1.51 = 12.09 eV
Frank Hertz Experiment
 Frank Hertz Experiment
Based on excitation by collision
Proof → atomic energy levels exist
Components:
(1) Tube (T)
(2) Filament (F)
(3) Plate (P)
(4) Grid (G)
(5) Hg vapour in T
(6) Ammeter (A)
(7) P.D. in F
(8) P.D. between F and G
(9) P.D. between G and P
 Frank Hertz Experiment
• F: electrons are emitted thermoionically
• G is at positive potential with respect to F
• P is at slightly negative potential with respect to G
𝑉0 = 0.5 V
• K.E. of 𝑒 − < 𝑒𝑉0 → unable to reach P
• P: collects electrons
• Features of the outcome:
(1) 𝑉 < 0.5 V: no collector current
(2) 0.5𝑉 < 𝑉 < 4.9 V ∶ collector current increases
continuously
(3) At 𝑉 = 4.9 V: current dips abruptly to a minimum
(4) 4.9𝑉 < 𝑉 < 9.8 V: current again increases
continuously
(5) At 𝑉 = 9.8 V: current dips steeply to a minimum
 Frank Hertz Experiment
Explanation:
• Elastic collision → K.E. is conserved
• Inelastic collision → K.E. is not conserved
• Elastic collision of electron with Hg atom: no
loss in K.E.
• Inelastic collision of electron with Hg atom →
raise Hg (in ground state) to excited state →
abrupt drop of current
 Bohr atom & de Broglie wave
de Broglie wavelength of electron:
ℎ ℎ
𝜆= =
𝑚𝑣 𝑒2
𝑚
4𝜋𝜖0 𝑚𝑟
ℎ 4𝜋𝜖0 𝑚𝑟
𝜆 =
𝑒 𝑒2
𝜆 = 33 × 10−11 m
𝑆𝑖𝑛𝑐𝑒 𝑛𝜆 = 2𝜋𝑟
𝜆 = 2𝜋𝑟 𝑟 = 0.53 Å; 𝑛 = 1
• An electron can circle a nucleus only if its orbit contains an integral no. of de
Broglie wavelengths → combines particle and wave character of electron
• A fractional number of wavelength cannot persist because destructive
interference will occur.
Bohr atom

𝑛𝜆 = 2𝜋𝑟

ℎ
⇒𝑛 = 2𝜋𝑟
𝑚𝑣
ℎ
⇒ 𝑚𝑣𝑟 = 𝑛
2𝜋
 Evidences in favour of Bohr’s theory
 Ratio of mass of mass of electron to the mass of proton
𝑚 1
=
𝑀𝐻 1837
 Spectrum of singly ionized Helium
1 1 1
= 4𝑅𝐻 2 − 2
𝜆 𝑛𝑓 𝑛𝑖
 Discovery of deuterium
• H𝛼 of 11𝐻 → 656.3 nm
• H𝛼 of 21𝐻 → 656.1 nm
Mathematical Problem
Mathematical Problem
 Other Atom Models
 Sommerfeld Model:
• Extension of Bohr model
• Allow elliptical orbits of electron ssa
 Vector atom model:
• Model of atom in terms of angular momentum
• Spinning electron
• Spatial quantization
 Wave mechanical model (Schrodinger):
• Based on particle and wave nature of electron
• Motion of electron: considered to be analogous to the standing wave
 Atomic arrangement in solids
 Crystalline and amorphous material
 Crystal structure
 Lattice and Basis
 Unit cell
 Lattice parameter
 Seven crystal systems
 Packing fraction
 Miller index
 Coordination number
 Crystalline Material

Diamond Germanium Gallium

 Amorphous Material

Glass Amorphous metal

Crystalline and Amorphous Material
Crystalline and Amorphous Material
 Matter
 Matter exists in nature in three states.
 Atoms in solid state are attached to another with strong forces of
attraction.
 Solid state physics: Branch of physics that deals with physical properties
of solids (crystals).
 Most of the solids: crystal (reason: energy released during the formation
of an ordered structure is more than that released during the formation of
disordered structure).
 Crystalline state: low energy state.
 Crystallography: branch of physics that deals with the strong relation
between geometrical structure and physical properties of crystals.
 Crystalline and Amorphous Material
 Crystalline material: atoms, molecules, or ions are arranged regularly
and periodically (long range order). Single crystals have infinite
periodicity.
 Amorphous material: atoms, molecules, or ions are not arranged
regularly and periodically (short range order). Amorphous solids (and
liquids) have no long-range order.
 Crystalline materials are of two types:
1. Single crystal: periodic and repeated arrangement of
atoms extends throughout the crystal.
2. Polycrystal: collection of small crystals (grains or
crystallites). Polycrystals have local periodicity.
 Lattice
 Regular and periodic arrangement of points in three dimension.
 Each lattice point has identical surroundings (Bravais lattice).
 Basis
 An atom, a group of atoms or a molecule associated with each points.
 Crystal structure = Lattice + Basis.
Unit Cell
 Unit Cell
 Smallest block or volume which can generate the crystal by repeating
itself in 3D.
 Lattice parameter

 Primitives or Characteristic intercepts:

a, b, c
 Interfacial angles: 𝛼, 𝛽, 𝛾
 Lattice parameters (geometrical constants):
a, b, c and 𝛼, 𝛽, 𝛾
 Types of Unit cell
 Two types (Based on atomic positions) : (i) Primitive (P)
(ii) Non-primitive

Non primitive
Primitive
 Types of Unit cell
 Three types of non-primitive unit cell : (i) Body centred (I)
(ii) Face centred (F)
(iii) Base or End centred (A, B or C)

Base centred Body centred Face centred

 Seven Crystal Systems
 Cubic crystal:  Possible structures:
a=b=c
(i) Simple cubic (SC)
𝛼 = 𝛽 = 𝛾 = 90°
(ii) Body centred cubic (BCC)
(iii) Face centred cubic (FCC)
 Examples: Po, Cr, Al
 Seven Crystal Systems

Po (SC) Cr (BCC) Al (FCC)

Seven Crystal Systems
 Seven Crystal Systems
 Tetragonal crystal: a=b≠c
𝛼 = 𝛽 = 𝛾 = 90°

 Possible structures:
(i) Primitive (P)
(ii) Body centred (I)

 Examples: In, Sn

wulfenite
 Seven Crystal Systems
Tetragonal crystal:
 Seven Crystal Systems
 Orthorhombic crystal:  Possible structures:
a≠b≠c (i) Primitive (P)
𝛼 = 𝛽 = 𝛾 = 90°
(ii) Body centred (I)
 Examples: Br, Ga
(iii) Face centred (F)
(iv) End centred (A)
 Seven Crystal Systems

Topaz
 Seven Crystal Systems
 Hexagonal crystal: a=b≠c
𝛼 = 𝛽 = 90°, 𝛾 = 120°
 Possible structures: Primitive (P)
 Examples: Be, Cd

Beryl
 Seven Crystal Systems
 Trigonal crystal: a=b=c
𝛼 = 𝛽 = 𝛾 ≠ 90°
 Possible structures:
(i) Primitive (P)
 Examples: B, Hg

Dolomite
 Seven Crystal Systems
 Monoclinic crystal: a ≠ b ≠ c, 𝛼 = 𝛽 = 90° ≠ 𝛾
 Possible structures:
(i) Primitive (P)
(ii) Base centred (C)
 Examples: Pu, P

Orthoclase
 Seven Crystal Systems
 Triclinic crystal: Possible structure: Primitive (P)
a≠b≠c
𝛼≠𝛽≠ 𝛾
 Examples: 𝐾2 𝐶𝑟2 𝑂7

Microcline, KAl𝑆𝑖3 𝑂8
 Seven Crystal Systems
Types of No. of
Crystal system Lattice parameters Bravais Bravais
Lattice Lattice

Cubic 𝑎 = 𝑏 = 𝑐, 𝛼 = 𝛽 = 𝛾 = 90° P, I, F 3
Orthorhombic 𝑎 ≠ 𝑏 ≠ 𝑐, 𝛼 = 𝛽 = 𝛾 = 90° P, I, F, C 4
Trigonal 𝑎 = 𝑏 = 𝑐, 𝛼 = 𝛽 = 𝛾 ≠ 90° P 1
Triclinic 𝑎 ≠ 𝑏 ≠ 𝑐, 𝛼≠𝛽≠𝛾 P 1
Monoclinic 𝑎 ≠ 𝑏 ≠ 𝑐, 𝛼 = 𝛽 = 90° ≠ 𝛾 P, C 2
Tetragonal 𝑎 = 𝑏 ≠ 𝑐, 𝛼 = 𝛽 = 𝛾 = 90° P, I 2
Hexagonal 𝑎 = 𝑏 ≠ 𝑐, 𝛼 = 𝛽 = 90°, 𝛾 = 120° P 1
Cubic Structure
Types of Unit cell
 Packing Fraction
 Packing fraction is the ratio of actual volume occupied by the atoms to
the total available volume of the structure.
 It is denoted by P.

actual volume occupied by the atoms in the structure

 P=
total available volume of the structure

 Also known as atomic packing factor (APF), packing efficiency.

 P < 1 (always)
 How a road is smoother when the stones are close together ( metals with
a high P will have higher workability).
 Packing Fraction of SC Structure
Edge of the cube = 𝑎
Radius of each atom = 𝑟
Unit cell of simple cubic (SC) structure contains one atom.
Edges of atoms touch each other. Thus 𝑎 = 2𝑟
 Packing Fraction of SC Structure
volume of the cube = 𝑎3
4 3
volume of one atom = 𝜋𝑟
3

actual volume occupied by the atoms in the structure

P=
total available volume of the structure

4 3 4 𝑎 3
1 × 𝜋𝑟 𝜋 𝜋
P= 3 = 3 2 = = 0.52
𝑎 3 𝑎3 6
i.e. 52% [Example: Po]
 Packing Fraction of BCC Structure
Edge of the cube = 𝑎
Radius of each atom = 𝑟

𝐴𝐷 = 𝑟 + 2𝑟 + 𝑟 = 4𝑟 … … … (1)

In right angled triangle ABC,

𝐴𝐵2 = 𝐴𝐶 2 + 𝐶𝐵2 = 𝑎2 + 𝑎2 = 2𝑎2
∴ 𝐴𝐵 = 𝑎√2

In right angled triangle ADC,

𝐴𝐷2 = 𝐵𝐷2 + 𝐴𝐵2 = 𝑎2 + 2𝑎2 = 3𝑎2
∴ 𝐴𝐷 = 𝑎√3……..(2)
 Packing Fraction of BCC Structure
Edge of the cube = 𝑎
Radius of each atom = 𝑟

𝐴𝐷 = 𝑟 + 2𝑟 + 𝑟 = 4𝑟 … … … (1)

In right angled triangle ABC,

𝐴𝐵2 = 𝐴𝐶 2 + 𝐶𝐵2 = 𝑎2 + 𝑎2 = 2𝑎2
∴ 𝐴𝐵 = 𝑎√2

In right angled triangle ADB,

𝐴𝐷2 = 𝐵𝐷2 + 𝐴𝐵2 = 𝑎2 + 2𝑎2 = 3𝑎2
∴ 𝐴𝐷 = 𝑎√3……..(2)
 Packing Fraction of BCC structure

4𝑟 = 𝑎√3
𝑎√3
∴𝑟=
4

actual volume occupied by the atoms in the structure

P=
total available volume of the structure
3
4 3 4 𝑎 3
2 × 𝜋𝑟 2× 𝜋 𝜋√3
P= 3 = 3 4 = = 0.68
𝑎3 𝑎3 8
𝑖. 𝑒. , 68% [Example: Li]
 Packing Fraction of FCC structure
Edge of the cube = 𝑎 In right angled triangle ABC,
Radius of each atom = 𝑟 𝐴𝐵2 = 𝐴𝐶 2 + 𝐶𝐵2 = 𝑎2 + 𝑎2 = 2𝑎2
𝐴𝐵 = 𝑟 + 2𝑟 + 𝑟 … … … (1) ∴ 𝐴𝐵 = 𝑎 2 … … … … … 2
𝑎
4𝑟 = 𝑎 2 ⇒ 𝑟 =
2√2
 Packing Fraction of FCC structure
actual volume occupied by the atoms in the structure
P=
total available volume of the structure
4 3
4 × 𝜋𝑟
P= 3
𝑎3
3
4 𝑎
4× 𝜋
3 2 2 𝜋
P= = = 0.74
𝑎3 3√2

𝑖. 𝑒. , 74% [Example: Cu]

 Coordination Number

SC coordination number BCC coordination number

 Coordination Number

 Number of nearest neighbours

which an atom has in the
structure.

 Coordination numbers:
o Simple cubic: 6
o Body centred cubic: 8
o Face centred cubic: 12

FCC coordination number

 Miller Index

 Miller indices were

introduced by W H Miller in
1839.
 Miller Indices are defined as
a set of smallest integers that
indicates the orientation of a
plane or set of parallel
planes in a crystal.
 Miller indices form a
notation system in
crystallography for planes.
 How to Draw Plane

 To draw a plane (ℎ𝑘𝑙):

1 1 1
1. Find the reciprocal of ℎ𝑘𝑙 , i. e. , , , .
ℎ 𝑘 𝑙
2. For all non-zero indices, draw a point on the x-axis
1 1
at , a point on the y-axis at , a point on the z-axis
ℎ 𝑘
1
at .
𝑙
3. Connect the dots.
How to Draw Plane
How to Draw Plane
How to Draw Plane
 How to Draw Direction

 To draw a direction [ℎ𝑘𝑙]:

1. Choose a point for the origin of your vector.

2. Determine the vector end point.
3. Connect the origin and end point.
How to Draw Direction
How to Draw Direction
 Miller Index
 (ℎ𝑘𝑙) denotes the position and orientation of a crystallographic plane.
 {ℎ𝑘𝑙} denotes the set of all planes that are equivalent to (ℎ𝑘𝑙).
 In the context of crystal directions: [ℎ𝑘𝑙], with square instead of round
brackets, denotes a direction.
 < ℎ𝑘𝑙 > denotes the set of all directions that are equivalent to [ℎ𝑘𝑙] by
symmetry.

Example:
100 ⇒ 100 , ത
100 ത , 001 , (001)
, 010 , 010 ത
< 100 >⇒ 100 , ത
100 ത , 001 , [100]
, 010 , 010
 Miller Index
Interplanar spacing for a set of parallel planes (ℎ𝑘𝑙):

1
d=
ℎ2 𝑘 2 𝑙 2
2 + 2+ 2
𝑎 𝑏 𝑐

The angle 𝜃 between the crystallographic directions [ℎ1 𝑘1 𝑙1 ] and [ℎ2 𝑘2 𝑙2 ] is

given by:
ℎ1 ℎ2 + 𝑘1 𝑘2 + 𝑙1 𝑙2
cos 𝜃 =
ℎ12 + 𝑘12 + 𝑙12 ℎ22 + 𝑘22 + 𝑙22
 Mathematical Problem
In a cubic unit cell, find the angle between normal to the planes (111) and
(121).

Ans: 19.47 deg.

 Mathematical Problem
A plane makes intercepts of 1, 2, 0.5 Å on the crystallographic axes of an
orthorhombic crystal with a:b:c=3:2:1. Determine the Miller indices of this
plane.

Ans: (312)
 Mathematical Problem
Calculate the angles which [111] direction of a cubic unit cell makes with
[100] and [110] directions.

Ans: (54.73 deg, 35.25 deg)

 Mathematical Problem
Determine the number of nearest neighbours and the closest distance of
approach in terms of lattice parameter for monatomic sc, bcc and fcc
structure.

𝑎 3 𝑎
𝐴𝑛𝑠: 6, 𝑎; 8, ; 12,
2 2
 Mathematical Problem
The density of KCl crystal is 1.98 × 103 𝑘𝑔/𝑚3 . Calculate the lattice
constant and the distance between two adjacent atoms of the crystal. KCl
has FCC lattice structure. [molecular weight of KCl is = 39+35.5, 𝑁𝐴 =
6.02 × 1026 𝑝𝑒𝑟 𝑘𝑔 − 𝑚𝑜𝑙]

𝐴𝑛𝑠: 6.3 Å
 Mathematical Problem
In a crystal whose primitives are 1.2 Å, 1.8 Å, 2 Å, a plane (231) cuts an
intercept of 1.2 Å along the X-axis. Find the lengths of intercepts along Y-
and Z-axes.

𝐴𝑛𝑠: 1.2 Å 𝑎𝑙𝑜𝑛𝑔 𝑌 − 𝑎𝑥𝑖𝑠, 4 Å 𝑎𝑙𝑜𝑛𝑔 𝑍 − 𝑎𝑥𝑖𝑠

 X-ray Diffraction and Bragg Law
 The size of the unit cell and the arrangement of atoms in a crystal may
be determined from measurements of the diffraction of X-rays by the
crystal.
 Diffraction is the change in the direction of travel experienced by an
electromagnetic wave when it encounters a physical barrier whose
dimensions are comparable to those of the wavelength of the light.
 X-rays are electromagnetic radiation with wavelengths about as long
as the distance between neighbouring atoms in crystals (on the order
of a few Å).
 When a beam of monochromatic X-rays strikes a crystal, its rays are
scattered in all directions by the atoms within the crystal. When
scattered waves traveling in the same direction encounter one another,
they undergo interference.
X-ray Diffraction and Bragg Law
 X-ray Diffraction and Bragg Law

When x-rays are scattered from a crystal lattice, peaks of scattered

intensity are observed which correspond to the following conditions:
1) The angle of incidence = angle of scattering.
2) The path length difference is equal to an integer number
of wavelengths.
The condition for maximum intensity contained in Bragg's law above
allow us to calculate details about the crystal structure, or if the crystal
structure is known, to determine the wavelength of the x-rays incident
upon the crystal.
2𝑑 𝑠𝑖𝑛𝜃 = 𝑛𝜆
X-ray Diffraction and Bragg Law
Energy vs Interatomic Distance
Interatomic Force vs Interatomic Distance
Interatomic Force and Force of Equilibrium
Energy at equilibrium
distance is known as
binding energy or
energy of cohesion.

Energy 𝑈0 is released
when two atoms are at
r = 𝑟𝑚 .

𝑟𝑚 is equilibrium
distance.
 Bonding in Solid
To know exact nature of bonding, knowledge of charge distribution of
valence electrons are required.
a) Transfer of valence electrons takes place (ionic crystal:
NaCl).
b) Sharing of electrons takes place (covalent crystal:
diamond).
c) Free nature of valence electrons (metallic crystal: Cu).
d) Electrons are associated with original molecule (molecular
crystal: van der Waals bond, hydrogen bond)
First three types: Primary bond
Last type: Secondary bond
Bonding in Solid: Ionic Crystal

Ionic NaCl
 Bonding in Solid: Metallic Crystal

 Metal looks like “positive ions in a sea of electrons”.

 Good conductors of heat and electricity.
 Malleable and ductile, and most are strong.
 Their strength indicates that the atoms are difficult to separate.
 The electrical conductivity suggests that it is easy to move electrons in
any direction in these materials.
 The thermal conductivity also involves the motion of electrons.
 Bonding in Solid: Molecular Crystal

 Even though the water molecule as a whole is electrically neutral, the

distribution of charge in the molecule is not symmetrical.
 This leads to a dipole moment.
 This leads to a net attraction between such polar molecules.
 Hydrogen bonding is an example of van der Waals bonding.
 Even nonpolar molecules experience some van der Waals bonding. Even
though the molecules don't have permanent dipole moments. The
fluctuations of molecular dipole moments lead to a net attraction between
molecules.
Queries
?
 References

1. Beiser, A., 2003. Concepts of modern physics. Tata McGraw-Hill Education. (chapter 4)
2. Puri, R.K. and Babbar, V.K., 2008. Solid state physics and electronics. S. Chand Publishing. (chapter 1)
3. Gias Uddin Ahmad, 2013. Physics for Engineers(Part-I & II). Hafiz Book Centre. (chapter 14 & 19)
4. [Link]
5. [Link]
6. [Link]
7. [Link]
8. Other websites