Unit 1 Energy Bands in Solids
Unit 1 Energy Bands in Solids
Computational Methods
(21PYB102J)
Drude Theory
According to kinetic theory of gases in a metal, Drude assumed
free electrons are as a gas of electrons.
This theory initially proposed by Drude in 1900
It’s the first theory to explain the electrical conduction in
conducting materials and reveals that free electrons are responsible
for the electrical conduction.
Free electrons
In certain metals especially in Cu, Ag and Al valence
electrons are so weakly attached to the nuclei they can be easily
removed or detached such electrons are called as free electrons.
But all the valence electrons in the metals are not free electrons.
Classical Free Electron Theory of Metals
electrons is observed.
Important characteristics
RELAXATION TIME ():
Time taken for drift velocity to decay (1/e) of its initial
value
MEAN COLLISION TIME (c):
• Mean or average time taken by an electron between
two successive collisions
• It is also called mean free time [or] collision time
MEAN FREE PATH (λ):
Average distance travelled by an electron between two
successive collisions
λ = Vrms . c
Classical Free Electron Theory of Metals
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Classical Free Electron Theory of Metals
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QUANTUM FREE ELECTRON THEORY
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Quantum Free Electron Theory of Metals
En = n2h2/8mL2
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Quantum Free Electron Theory of Metals
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DENSITY OF STATES
The number of energy states within the sphere of radius ‘n’ is = 4/3 π
n3
Since nx, ny, and nz will have only positive values, we have to take
only one octant of the sphere (i.e) 1/8 th of the sphere volume.
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The number of available energy states within the sphere of radius
n = 1/8 [4/3 π n3]
For 12 atoms, each of the 1s and 2s atomic states splits to form an electron energy
band consisting of 12 states.
Energy Band Structures in solids
• Valence band – filled – highest occupied energy levels
• Conduction band – empty – lowest unoccupied energy levels
At Equilibrium spacing :
Band formation may not occur
Formation of Bands in Solids
In solids the outer electron energy levels split into a series
of closely packed electron states to form bands
Allowed band
Forbidden band
Allowed band
Energy bands in solids
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Energy Band Structure of Semiconductor
Brillouin zone
To understand the Energy band structure, consider silicon atom.
Ten of the 14 silicon atom electrons occupy deep-lying energy levels close
to the nucleus. The four remaining valence electrons are relatively weakly
bound and are the electrons involved in chemical reactions.
Energy Band Structure of Semiconductor
Brillouin zone
Above Figure shows the band splitting of silicon. We need only to consider
the n=3 level for the valence electrons, since the first two energy shells are
completely full and are tightly bound to the nucleus.
The 3s state corresponds to n=3 and l=0 and contains two quantum states
per atom. This state will contain two electrons at T= 0 K. The 3p state
corresponds to n= 3 and l=1 and contains six quantum states per atom. This
state will contain the remaining two electrons in the individual silicon
atom.
Energy Band Structure of Semiconductor
Brillouin zone
At the equilibrium interatomic distance, the bands have again split, but now
four quantum states per atom are in the lower band and four quantum states
per atom are in the upper band.
At absolute zero degrees, electrons are in the lowest energy state, so that all
states in the lower band (the valence band) will be full and all states in the
upper band (the conduction band) will be empty.
The bandgap energy Eg between the top of the valence band and the bottom
of the conduction band is the width of the forbidden energy band.
Energy Band Structure of Semiconductor
Brillouin zone
At T = 0 K, the 4 N states in the lower band, the valence band, are filled
with the valence electrons. All of the valence electrons are in the valence
band. The upper energy band, the conduction band, is completely
empty at T = 0 K.
This means that, as the negatively charged electron breaks away from its
covalent bonding position, a positively charged “empty state” is created in
the original covalent bonding position in the valence band.
Figure shows the E versus k diagram of the conduction and valence bands at
T=0 K. The energy states in the valence band are completely full and the
states in the conduction band are empty.
Energy Band Structure of Semiconductor
Brillouin zone
Below Figure shows these same bands for T >0 K, in which some electrons
have gained enough energy to jump to the conduction band and have left
empty states in the valence band.
Kroning Penney model :
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Bloch Theorem
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Schrödinger’s one-Dimensional time
independent wave equation
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variation of potential with distance in real
solid
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variation of potential with distance by Kronig-
Penny
Kronig-Penney Model
Uniform potential is replaced by periodic potential
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The Schrödinger’s equations are:
for 0<x<a.............(2)
for -b<x<0.............(3)
for 0<x<a
for -b<x<0
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where u(x) is the periodic function as defined by u(x) = u(x + a), and
k(x) is the wave number. Rewriting the wave function in such form
allows the simplification of the Schrödinger equation, which we now
apply to region I, between the barriers where V(x) = 0 and region II,
the barrier region where V(x) = V0:
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Vob is potential barrier or barrier strength, P is height of
potential barrier or it is a measure of the strength with
which electrons are bound to the positive ions.
This is a relation between parameter k, total Energy E
(through parameter α) and potential barrier bVo.
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P infinity
2/13/2023 Confidential 56
Strength of the barrier
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E-K Diagram
The conventional band diagram shows the band
gap energy only
To know more about electrical and optical
properties of semiconductor material, we need to
know about the E-K diagram.
An E-K diagram shows characteristics of C.B
crystal
K being the momentum and E as the energy.
From a mathematical point of view K is the wave
vector
The E-K diagram of semiconductor is obtained
by solving the Schrodinger’s equation. 60
There are three types of E-K
diagram
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Reduced zone scheme :
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What are the significance of E-K diagram
No theoretical study, experimentation and technological application can
take place without E-K diagram.
This diagram indicates the band gap Eg which is the difference in energy
between top of the valance band and bottom of the conduction band
This diagram demonstrate electron (hole) mobility
This diagram explains electron (hole) effective mass
This diagram indicate how the electron states are equally spaced in K-
Space
This diagram clearly shows direct vs indirect band gap
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Direct and Indirect band gap
semiconductors
• We know the relation between energy and
wave number for an one dimensional
lattice. In real crystals the E – K
relationship is much more complicated.
• In crystals the interatomic distances and
internal potential energy distribution vary
with direction of the crystal.
• Hence the E – K relationship and energy
band formation depends on the orientation
of the electron wave vector to the
crystallographic axes.
• In few crystals like GaAs, the maximum of
the valence band occurs at the same value
of K as the minimum of the conduction
band.
• This is called direct band gap
semiconductor. 66
Direct and Indirect band gap
semiconductors
We know
P=ℏk
Reciprocal Lattice
It is easy to think a set of
parallel crystal planes in
terms of their normals, since
as the planes are two
dimensional, their normals
will be one dimensional in First Brillouin Zone of Square
nature. Lattice
Wigner-Seitz cell: smallest possible primitive cell, which consist of
one lattice point and all the surrounding space closer to it than to any
other point.
The construction of the W-S cell in the reciprocal lattice delivers the
first Brillouin zone (important for diffraction)
The Brillouin zones are used to describe and analyze the electron
energy in the band energy structure of crystals.
Brillouin Zones
k = (π/a) to (2π/a).
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Brillouin zone
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Atomic Vibrations
Atomic vibrations are in the form of lattice waves or phonons.
Transverse wave
These particles obey Pauli’s exclusion principle and are called fermions
(e.g.) Electrons, protons, neutrons …,
In such system of particles, not more than one particle can be in one
quantum state.
gi
ni Ei
(e ) 1
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Fermi Energy
Fermi Energy is the energy of the state at which the probability of electron
occupation is ½ at any temperature above 0 K.
It is also the maximum kinetic energy that a free electron can have at 0 K.
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Fermi Energy
3N
2/3
h2
EF
8m
When temperature increases, the Fermi level or Fermi energy also
slightly decreases.
The Fermi energy at non–zero temperatures,
kT
2
1 2
E F E F0
12 EF
0
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Fermi-Dirac Distribution Function f(E)
N (E) 1
M ( E ) 1 exp (E EF )/kT
N(E) / M(E) is the fraction of the possible quantum states which are occupied.
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Fermi-Dirac Distribution Function f(E)
If the level is certainly empty, then f(E) = 0. Generally the f(E) has a
value in between zero and unity.
When E< EF (i.e.,) for energy levels lying below EF, (E –EF) is a
negative quantity and hence,
1 1
f(E)
1
1 e 1 0
That means all the levels below EF are occupied by the electrons.
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Fermi-Dirac Distribution Function f(E)
When E > EF (i.e.) for energy levels lying above EF, (E – EF) is a
positive quantity
1 1
f(E)
0
1 e 1
At absolute zero, all levels below EF are completely filled and all levels
above EF are completely empty.
This level, which divides the filled and vacant states, is known as the
Fermi energy level.
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Fermi-Dirac Distribution Function f(E)
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Fermi-Dirac Distribution Function f(E)
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Fermi-Dirac Distribution Function f(E)
When E = EF ,
1 1 1
f (E) at all temperatures
1 e0 11 2
At T = 0 K all the energy level upto EF are occupied and all the energy
levels above EF are empty .
When T > 0 K, some levels above EF are partially filled while some
levels below EF are partially empty.
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Classification Of Electronic Materials
Conductors
Semiconductors
Insulators
Superconductor
Conductors
Conductors are substances which have free electrons, which can move under the
action of an electric field. The electrons are free in the sense that they belong to
the crystal as a whole and not tied down (bound) to a particular atom or a
molecule.
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Classification Of Electronic Materials
Semiconductors
Semiconductors are materials which have the conductivity between
conductors and insulators. Semiconductors are the elements of group-III,
group-IV and group-V.
Insulators
Insulators are very poor conductor of electricity. The forbidden gap value
is 3e V
Conduction Band Eg
Eg Ef
Conduction Band Ef
Ef
Valance Band Valance Band Valance Band
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DEPARTMENT OF PHYSICS AND NANOTECHNOLOGY
SRM INSTITUTE OF SCIENCE AND TECHNOLOGY
18PYB103J –Semiconductor Physics
SOLVING PROBLEMS
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1. The electrical resistivity of copper at 27⁰ C is 1.72 x 10-8 Ohm m.
Compute its thermal conductivity if the Lorentz number is 2. 26 x 10-8 W
Ohm K-2
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2. Calculate the drift velocity of electrons in copper and current
density in wire of diameter 0.16 cm which carries a steady current
of 10 A. Given n
= 8.46 × 1028 m–3.
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3. Find the lowest energy of an electron confined in one dimensional
potential box separated by distance 0.1 nm.
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4. An electron is bound in one dimensional infinite well of width 1 x 10-10m.
Find the energy value in the ground state, first and second excited states.
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5. Find the least energy of an electron moving in one-dimensional
potential box (infinite height) of width 0.05nm.
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21PYB102J