Out line:

 Introduction.
 What is Band theory ?.
 Theory of crystal:

 Summerfield model
1-Free electron theory.
 Classical Free electron
model

2-Nearly free electron approximation.

3-Tight binding theory.
 Introduction:(some definition).

Real lattice Reciprocal lattice

Brillion zone

Bragg Diffraction
plane
Introduction:

Two atoms six atoms N atoms

_The electron occupies atomic orbital, when

molecules formed their atomic orbitals overlap.

-The Pauli Exclusion Principle dictates that no two

electrons can have the same quantum numbers in a
molecule.
Band theory:
 The calculation of the allowed electron states in
a solid is referred to as band theory or band
structure theory.

Theory of crystal:
1-Free electron model:
The aim of this model to explain the structure
and properties of solids through their electronic
structure for all solid (metal and nonmetal).
It explains: electrical, thermal and magnetic
properties of solids etc.

The theory has been developed in two main

stages:
i-The classical free electron theory.
ii-The quantum free electron theory:
i-The classical free electron theory (Drude model):

1. It verifies ohm’s law.

n e2 τ ⃗
⃗J
= m
E

2.It explains electrical conductivity of metals.

Nt e2 τ
σ = m

3. It derives Widemann – Franz law.

K
LT= σ
Where L the proportionality constant (also known as the Lorenz
number).

4- It explains thermal conductivity of metals.

Jq = κ∇T
where Jq is the heat current. k is the thermal
conductivity.
ii-The quantum free electron theory:(Summerfield
model).
1.Sommerfeld theory correctly predicts the
electronic heat capacity.
C = (Nk)T /Tf
2.Temperature dependence of conductivity of
metals can be explained by this theory.
3. It explains magnetic susceptibility of metals.
 Nearly free electron approximation

 In nearly free electron consider electron

in solid against periodic potential.(V=Vo).

a L k=
2π
L

2π
k=
a

( ħk )2
Energy level for electron: E= 2m .

In nearly free electron not all number of k are

allowed.
 Energy versus wave vector

All allowed states correspond to k-vectors in the

first brillouin zone.
Can draw E(k) in three ways.

Wave function for electron in NFE

approximation:

+ v(x))Ψ(x)=E Ψ(x)
−ħ2 ∂2
( 2 m ∂2 x
Ψ(x)≈u(x)

Ψ(x)≈u(x) e i(kx−wt)

u(x)= u(x+a)= u(x+2a)=………….

u(x)= u(x+a)
Ψ(x+a)e −i (kx +ka−wt)
= Ψ(x) e i(kx−wt)

Ψ(x+a)= e Ψ(x)
i(ka )

Some special things happened when phase : e =1 i(ka)

ka=+/- m π m=0 not surprise

m=1,2,3,………

π π π
k= ± a , ±2 a , ±3 a ,…….
π
Consider asset of waves with +/- k-pairs, e.g. k= ± a
π
k= + a moves
π
k= - a moves
This defines a pair of waves moving right and left.
Two trivial ways to superpose these waves are:
 +e -e
i(kx ) i(kx )

Ψ +¿ ≈e Ψ −¿≈ e
¿ −i (kx ) ¿ −i (kx )

Ψ +¿ ≈¿ 2cos(kx) Ψ −¿≈¿ 2isin(kx)

4 (kx) 4 (kx)
2 2
2 2
¿ Ψ +¿∨¿ ≈¿ ¿ cos ¿ Ψ −¿∨¿ ≈ ¿ ¿ sin
 Tight binding theory
In solid-state physics, the tight binding model is
an approach to the calculation of electronic band
structure using an approximate set of wave functions
based upon superposition of wave functions for
isolated atoms located at each atomic site. In this
approach, interactions between different atomic sites
are considered as perturbations, i.e. correction to the
atomic potential ΔU is small.
H = Hat + ΔU(r)
A solution ψ(r) to the time-independent single
electron Schrödinger equation is then approximated
as linear combination of atomic orbitals φn( r − Rn ):
φ(r) = ∑n bn φn(r)