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Atomic Structure

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0% found this document useful (0 votes)
22 views48 pages

Atomic Structure

Uploaded by

Jahid Hasan
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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Course no: Phy 1115

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
 Impact parameter
 Scattering angle
 Scattering cross-section
 Rutherford scattering formula
 Atomic spectra and Bohr model
 Atomic arrangement in solids
 Bonds in solids
Atomic Structure
Rutherford gold foil experiment
Impact parameter
Scattering angle
Scattering cross-section
Rutherford scattering formula
Atomic spectra and Bohr model
These topics:
[From the books: 1. Concepts of modern physics ,Beiser, A.
2. Physics for Engineers(Part-I & II), Gias Uddin Ahmad, 2013. ]
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 and Amorphous Material
 Crystalline material: atoms, molecules, or ions are arranged regularly
and periodically (long range order).

 Amorphous material: atoms, molecules, or ions are not arranged regularly


and periodically (short range order).

 Crystalline materials are of two types:


 Single crystal: periodic and repeated arrangement of
atoms extends throughout the crystal.
 Polycrystal: collection of small crystals (grains or
crystallites).
Single Crystal and Polycrystal
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
 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: 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
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)
Seven Crystal Systems

 Total number of Bravais Lattices: 14


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

 Examples: In, Sn
Seven Crystal Systems
 Orthorhombic crystal:
a≠b≠c
𝛼 = 𝛽 = 𝛾 = 90°
 Possible structures:
(i) Primitive (P)
(ii) Body centred (I)
(iii) Face centred (F)
(iv) End centred (A)
 Examples: Br, Ga
Seven Crystal Systems
 Hexagonal crystal:
a=b≠c
𝛼 = 𝛽 = 90°, 𝛾 = 120°
 Possible structures:
(i) Primitive (P)

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

 Examples: B, Hg
Seven Crystal Systems
 Monoclinic crystal:
a≠b≠c
𝛼 = 𝛽 = 90° ≠ 𝛾
 Possible structures:
(i) Simple cubic (P)
(ii) End centred (I)

 Examples: Pu, P
Seven Crystal Systems
 Triclinic crystal:
a≠b≠c
𝛼≠𝛽≠ 𝛾
 Possible structures:
(i) Primitive (P)

 Examples: 𝐾2 𝐶𝑟2 𝑂7
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
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 𝑎 3 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
4𝑟 = 𝑎√3
𝑎√3
∴𝑟=
4

actual volume occupied by the atoms in the structure


P=
total available volume of the structure

4 3 4 𝑎√3 3
2 × 𝜋𝑟 2 × 𝜋( ) 𝜋√3
P= 3 = 3 4 = = 0.68
𝑎 3 𝑎 3 8
𝑖. 𝑒. , 68% [Example: Li]
Packing fraction of FCC structure
Edge of the cube = 𝑎
Radius of each atom = 𝑟

𝐴𝐵 = 𝑟 + 2𝑟 + 𝑟 … … … (1)

In right angled triangle ABC,


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

4𝑟 = 𝑎 2
𝑎
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

4 𝑎 3
4×3𝜋( ) 𝜋
√8
𝑃= = = 0.74
𝑎3 3√2
𝑖. 𝑒. , 74% [Example: Cu]
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 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
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 (not planes): [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 )
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
Interatomic Force and Force of Equilibrium
Interatomic Force and Force of Equilibrium
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 NaCl
Bonding in Solid

Covalent Hydrogen
molecule
Bonding in Solid
Bonding in Solid
 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
 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.
 Hydrogen bond is the strongest van der Waals bond.
Queries
?
References

1. Beiser, A., 2003. Concepts of modern physics. Tata McGraw-Hill Education.


2. Puri, R.K. and Babbar, V.K., 2008. Solid state physics and electronics. S. Chand Publishing.
3. Gias Uddin Ahmad, 2013. Physics for Engineers(Part-I & II). Hafiz Book Centre.
4. https://en.wikipedia.org/wiki/Main_Page.
5. http://hyperphysics.phy-astr.gsu.edu/hbase/index.html
6. https://www.doitpoms.ac.uk/
7. https://chem.libretexts.org/

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