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Unit 1

Conducting Materials
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Band Structures

Plenty of free e-s Large Eg (7eV)

Very few (or) no free e-s

Few free e-s Narrow Eg (1eV) Small electric field for conduction.

Overlapping VB & CB

Very small electric field for conduction.

Very large electric field for conduction. - TCR

+ TCR (Temp Co-effi of Resistance)

- TCR
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Electron Theory of Solids

Classical free electron theory (or) Macroscopic Theory

1900 - Drude and Lorentz - free electrons obeying the laws of classical mechanics - free electrons assumed to move in a constant potential.

Quantum free electron theory (or) Microscopic Theory

1928 - Sommerfeld - free electrons obey the quantum laws - free electrons are assumed to move in a constant potential and the fermi level electrons are responsible for the properties of metals.

Zone theory (or) Band theory (or) Brillouin theory

1928 - Bloch - electrons move in a periodic field provided by the lattice.

Concept of holes, origin of Bandgap and effective mass of electrons, mechanism of semiconductivity based on band.
4 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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Classical Free e- Theory

Quantum Free e- Theory


Microscopic theory

Macroscopic theory

Only valance e-s are


responsible for conduction.

All e-s including core and valence e-s are responsible for conduction.

All e-s play a major role in

Fermi level e-s play a


major role in conduction.

conduction.

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Mobility & Conductivity in Metal Conductors

Let us consider a solid material (S) (metal) of length l and area of cross-section A.

In metals the electrical conductivity depends on the number of charge carriers (free electrons) present in that material.

Let n number of charge carriers (free electrons) be present in it. N=nAl .......(1)

Total number of electrons in the solid (metal)

Total charge Q = Total number of electrons x Charge of one electron Q = N ( e) .......(2) Negative sign indicates that the charge of the electron is negative.

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Substituting eqn. (1) in (2) we get Q = n Al ( e) .......(3)

Total charge present in the solid

When voltage (V) is applied to the metal, the electrons starts moving with an average velocity called drift velocity (vd) from one end to the other i.e., along a length l (or) through a distance l, giving rise to conduction of current in the solid. =
Q t
n Al e t
7

Therefore current I I =

Tot al ch ar g e in t he solid Time t aken for t he movement of ch ar g es

.......(4)

Substituting eqn. (3) in (4) we get I = .......(5)

Current

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Current density (J) i.e., the current, flowing through the solid per unit area is given by I J = .......(6)
A

Substituting eqn. (5) in eqn. (6) we get J


tA

= vd vd =

nAl ( e)

.......(7)

Since drift velocity

l = t
nvd ( e)

aver age dis t an ce t r avelled by t he elect r on t ime t aken

Equation (7) can be written as J = .......(8)

8 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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Current density from Ohms Law


I =
V R

From Ohms law, .......(9)

Electrical resistance (R) - opposition offered by the solid (metal) for the movement of electrons, given by l R = .......(10) A

where is the resistivity of the solid (metal).

Substituting eqn. (10) in (9) we get I J =


I A

Current

VA l

.......(11) =
VA l A

From eqn (6)

V = l
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J
1

V = l

.......(12)

Conductivity () is the reciprocal of resistivity () =

(a) (b)

Electric field

V (E) = l

Sub above two values in eqn. (12), we get J = E .......(13)

Comparing eqn. (8) & (13), we get E =


nvd e E

nvd ( e)

Mobility

vd = E
.......(14)
10

= n ( e)

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Mobility ()

The drift velocity (vd) acquired by the electron per unit electric field (E) applied to it.
(i.e.,) Mobility

vd = E

mV1 S1

Drift velocity (vd)

The average velocity acquired by the free electron in a particular direction, due to the application of electric field is called drift velocity.
ms1

Average distance travelled by an e- l vd = = t Time taken

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Relaxation time ()
=
1 vd

It is the time taken by the free electron to reach its equilibrium position from its disturbed position, in the presence of applied field.

Collision time (c)

c =

vd

It is the average time taken by a free electron between two successive collision. For a isotropic solid like metals = c

is mean free path.

Mean free path ()

The average distance travelled between two successive collision is called mean free path.

= cc

where is the root mean square the velocity of the electron.


12 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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Drude - Lorentz Theory


(Classical Free Electron Theory)

1st theory to explain the electrical conduction in conducting materials.

Drude and Lorentz in 1900.

Free electrons are fully responsible for electrical conduction.

Atom - central nucleus with +ve charge

surrounded by electrons of ve charges.

Drude assumed that the electrons in a metal are free to move in all directions and form an electron gas.

Valence electrons Core electrons Nucleus

These free electrons move randomly in all possible directions just like the gas molecules in a container.
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Postulates - Classical free electron theory

1.

In an atom electron revolve around the nucleus.

2. The valence electrons of atoms are free to move about the whole volume of metals like the molecules of a perfect gas in a container.

3. In the absence of electric field, these free electrons move in random directions and collide with each other and all the collisions are perfectly elastic.

4. Since the electrons are assumed to be perfect gas, they obey the laws of Classical Kinetic Theory of Gases.

5. Also the electron velocities in a metal obey the Classical Maxwell Boltzmann Distribution of Velocities.

6. When an electric field (E) is applied to the metal, the free electrons are accelerated in the direction opposite to the direction of applied electric field.
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Electrical Conductivity ()

the quantity of electric charge flows in unit time per unit area of cross section of the conductor per unit potential gradient.
=
Q AtE

ohm1 m1

Thermal Conductivity (K)

the amount of heat flowing through an unit area of a material per unit temperature gradient.

K = ()

FG IJ H K
W/m/K.

Q dT dx

The negative sign indicates that heat flows from hot end to cold end.

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Electrical Conductivity ()

Quantity of electric charge flow in unit time per unit area of cross section of the conductor per unit potential gradient.
=
Q AtE

ohm1 m1

Expression for Electrical Conductivity

1) When an electric field (E) is applied to a conductor, the free electrons are accelerated and give rise to current (I) which flows in the direction of electric field. 2) The flow of charges is given in terms of current density (J). 3) The electrons move with a velocity called drift velocity (vd) and the drift velocity direction is opposite to the field direction. 4) In an ordinary conductor, the current density is proportional to the applied electric field. J E
16 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

J=E ...(1) ( -proportionality constant - electrical conductivity of a conductor).

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Due to the applied electric field (E), the electrons acquire an acceleration a can be given by Acceleration (a) =

b g Rel axati on ti me b g

Dr i ft vel oci ty vd

...(2)

acceleration is the change in velocity over time

Let us consider that E be the electric field intensity applied to a conductor, e be the charge of electron, m be the mass of the electron, v be the velocity of electron and A be the area of cross section.

When an electric field of strength (E) is applied to the conductor, the force experienced by the free electrons is given by F = eE

...(3)
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Due to this force, the free electrons will acquire an acceleration a.

From Newtons 2nd law of motion, the force acquired by the electrons can be written as F = ma ...(4) Equating (3) and (4) eE = ma a =
eE m

...(5)

Now, substituting the value of a from eqn (2) in eqn. (5), we get
vd

vd =

eE m

FG e IJ E HmK

...(6)
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Current density (current per unit area per unit time) is determined by the number of charge carriers and its drift velocity J = n (e) vd

...(7)

Substituting eqn. (6) in eqn. (7), we get J = n ( e) J =


ne2 E m

FG e IJ E HmK
...(8)

Comparing eqn. (8) and eqn. (1), we get


ne2 E = E m

ne2 m

.....(9)

This is the expression for electrical conductivity.


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Conclusion
m =

ne 2

i.

Thus the electrical conductivity is directly proportional to electron density and relaxation time of the electrons.

20 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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Thermal Conductivity (K)

Amount of heat flowing through an unit area of a material per unit temperature gradient.

K = () F W/m/K.

GH IJK

Q dT dx

The negative sign indicates that heat flows from hot end to cold end

where K - Coefficient of thermal conductivity of material, Q - Amount of heat flowing per unit time through an unit cross-sectional area dT/dx - Temperature gradient.

In general, the thermal conductivity of a material is due to the presence of lattice vibrations (i.e., phonons) and electrons. Hence the total thermal conduction can be written as,

Ktotal

Kelectron + Kphonons
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A phonon is a quasi particle characterized by the quantization of the modes of lattice vibrations of periodic, elastic crystal structures of solids.

The study of phonons is an important part of solid state physics, because phonons play a major role in many of the physical properties of solids, including a material's thermal and electrical conductivities.

A phonon is a quantum mechanical description of a special

type of vibrational motion, known as normal modes in classical mechanics, in which a lattice uniformly oscillates at the same frequency. 22

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Derivation

Let us consider a uniform rod AB with temperatures T1 (hot) at end A and T2 (cold) at end B.

Heat flows from hot end A to the cold end B. Let us consider a cross sectional area C which is at a distance equal to the mean free path () of the electron between the ends A and B of the rod as shown in figure.

The amount of heat (Q) conducted by the rod from the end A to B of length 2 is given by Q Q =
A ( T1 T2 ) t 2 KA ( T1 T2 ) t 2

K = Coefficient of thermal conductivity. A = Area of cross section of the rod. 2 = Length of rod. t = Time for conduction. ... (1)

T1 T2 = Temperature difference between the ends A and B (Kelvin)


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Co-efficient of thermal conductivity per unit area per unit time K =


Q 2 ( T1 T 2 )

... (2)

Let us assume that there is equal probability for the electrons to move in all the six directions.

Since each electron travels with thermal velocity v and if n is the free electron density, then on an average 1/6 nv electrons will travel in

any one direction.


=
1 nv 6

The number electrons crossing unit area per ... (3)

unit time at C

Six probable directions of electron movement

According to Kinetic Theory of Gas, free electrons are assumed to be gas molecules which are freely moving. 3 The average kinetic energy of an electron = K B T1 2 at hot end A of temperature (T1)
24 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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Average kinetic energy of an electron at cold end B of temperature (T2) =


3 K B T2 2

Heat energy transferred per unit


= = =
1 3 nv. K B T1 6 2
1 nv K B T1 4

N umber of el ectr ons x Aver age K . E . of el ectr on movi ng fr om A to B

area per unit time from end A to B across C

... (4)

Similarly, the heat energy transferred per unit area per unit time from end B to A across C

= =

1 3 nv. K B T2 6 2

1 nv K B T 2 4

... (5)

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The net heat energy transferred from end A to B per unit area per unit time across C can be got by subtracting eqn. (5) from eqn. (4) Q Q =
1 nv K B ( T1 T 2 ) 4

1 1 nv K B T1 nv K B T2 4 4

... (6)

Substituting eqn. (6) in eqn. (2) we get K K = =


1 nv K B ( T1 T2 ). 2 4 ( T1 T2 )

nv K B 2

... (7)

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We know for metals,


Relaxation time () = Collision time (c)

( c =v )

v =

K =

... (8)
nv K B 2

Substituting eqn. (8) in eqn. (7) we get K =


nv K B v 2

nv 2 K B = 2

... (9)

Equation (9) is the classical expression for thermal conductivity.

Conclusion
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Wiedemann - Franz Law

the ratio between the thermal conductivity and the electrical conductivity of a metal is directly proportional to the absolute temperature of the metal.

K
T

K
= LT

where L is a constant called Lorentz number whose value is k2 at 293 K (Quantum mechanical value).

equal to 2.44 x 108 W

28 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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(a)

By Classical theory

ne2 The expression for electrical conductivity () = m


nv 2 K B 2

The expression for thermal conductivity (K) =

Ther mal conduct ivit y Elect r ical conduct ivit y


=

nv 2 K B 2 ne2 m

1 mv 2 K B = 2 e2

We know that, mv2 =


3 2

Kinetic energy of an electron

KBT
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K
3 K BT . K B = = 3 2 e2 2
KB e

FG IJ H K
T
2

=
3 2
B

K T
3 2
B

FG K IJ H eK
FG K IJ H eK
=
23

K = T

2 19

= LT

L 3 M e1.38 10 2 M e1.602 10 MN
k2

j OP j PPQ

= 1.112 x 108 W

a.

It is found that the classical value of Lorentz number, is only of the experimental (i.e.,) 2.44 x 108 W k2.

half

b.

This discrepancy of L value is One of the failure of classical theory (experimental and theoretical). This draw back can be
30

rectified by Quantum Theory.

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(b)

By Quantum theory

Mass of the electron (m) is replaced by the effective mass 2 *

m*

LM ne OP The expression for electrical conductivity () = MN m PQ

Rearranging the expression for thermal conductivity and substituting the electronic specific heat, the thermal conductivity can be written as
2 2 nK B

The expression for thermal conductivity (K) =

LM N
=

m*
2 2 nK B

OP T Q
3

Ther mal conduct ivit y Elect r ical conduct ivit y

LM N

m* ne2 m*

OP T Q
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=
3

2
B

FG K IJ H eK
T
2 B

=
3

K T

FG K IJ H eK
2 KB 3 e
2
2

FG IJ H K

K = T

23

= 2.44 x 108 W

k2

LM (3.14) N 3

OP LM d1.38 10 Q MN d1.602 10

19

i OP i PQ

Thus quantum theory verifies Wiedemann-Franz law and it has good agreement with the experimental value of Lorentz number.

32 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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Success of Classical Free Electron Theory

1.

It verifies Ohms law.

2.

It is used to derive Wiedemann-Franz law.

3.

It explains the electrical and thermal conductivities of metals.

4.

It explains optical properties of metals.

Drawbacks of Classical Free Electron Theory

1. 2.

It is a macroscopic theory. This theory cannot explain the electron conductivity of semiconductors and insulators.

3.

Ferromagnetism cannot be explained by this theory.

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4.

This theory cannot explain the Photoelectric effect, Compton effect and Black body radiation.

5.

The calculated value of specific heat of metals is not matching with the experimental value.

6.

At low temperature, Lorentz number is not a constant. But by classical theory it is a constant.

7.

Dual nature cannot be explained.

8.

Atomic fine spectra cannot be explained.

9.

Classical theory states that all the free electrons will absorb energy, but quantum theory states that only few electrons will absorb energy.

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Quantum Theory

1928 - Sommerfeld - free electrons obey the quantum laws - free electrons are assumed to move in a constant potential and the fermi level electrons are responsible for the properties of metals.

Sommerfeld - retained vital features of the Classical free e- theory & included

(i) Paulis Exclusion Principle. (ii) Fermi Dirac Statistics.

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Quantum Theory

In classical theory the properties of metals such as electrical and thermal conductivities are well explained on the assumption that the electrons in the metal freely moves like the particles of a gas and hence called freeelectron gas.

According to classical theory, the particles (electrons) of a gas at zero kelvin will have zero kinetic energy (3/2 KBT) and hence all the particles are found to be in rest.

But according to classical theory when all the particles are at rest, all of them should be filled only in the ground state energy level, which is impossible and is controversial to the Paulis exclusion principle.

36 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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Paulis Exclusion Principle

"In an atom no two electrons can have the same set of four quantum numbers."
n 1 1 0 0 0 0 l m s +1/2 -1/2

electron

e1

e2

In a closed system, NO two electrons can OCCUPY the SAME STATE.

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Thus inorder to fill the electrons in a given energy level, we should know the following.

(i)

Energy distribution of electrons

(ii) Number of available energy states

(iii) Number of filled energy states

(iv) Probability of filling an electron in a given energy state, etc.

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Fermi distribution function

The probability F(E) of an electron occupying a given energy level is given by Fermi-Dirac distribution function F(E)
1 = E EF + exp 1 K BT

FG H

IJ K

.......(1)

where EF is called Fermi energy

a.

In metals, the e-s are distributed among the different possible energy states.

b.

Energy of the highest filled state at OK is called the Fermi Energy (EF).

c.

The magnitude of EF depends on how many free electrons there.

d.

At OK all states upto EF are occupied and states above EF are empty.

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Effect of Temperature on Fermi Function


At T= 0 K and E < EF

Case - 1

1 = 1 + 0 = 100 % It means that 100% chance to find the particle [electron]. At 0 K all energy states below EF are occupied by electrons.
At T= 0 K and E > EF 0%

1 F (E) = 1 + exp ( )

Case - 2

1 1 1 F (E) = 1+ exp( ) = = = 1+

It means that 0% chance to find the particle [electron] At 0 K all energy states above EF are empty.
40 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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Case - 3
At T > 0 K and E = EF
1 1 1 F (E) = = = = 1+ 1 1 + exp( 0 ) 2

50%

# It means that 50% chance to find the particle [electron]. # At 0 K energy states above EF are empty and below EF are filled.

Fermi distribution function at different temperatures

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Density of Energy States

A parameter of interest in the study of conductivity of metals and semiconductors is the density of states.

The Fermi function F (E) gives only the probability of filling up of electrons in a given energy state, it does not gives the information about the number of electrons that can be filled in a given energy state.

To know that we should know the number of available energy states, so called density of states.

Definition

The number of energy states present in the energy range from E to E + dE per unit volume of the material.

No. of states between E andE + dE i n a metal pi ece Z(E) dE = Vol ume of themetal pi ece

Z(E) dE =

N (E) dE Volume

N (E) dE a3

.......(1)
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The energy of the free electron is the same as the energy of a particle in a box. i.e., n2 = nx2 + ny2 + nz2, nx, ny and nz are quantum numbers h2 2 2 2 n x + n y + n z ....(2) E = corresponding to three 8 ma 2 perpendicular axes x, y and z.
h n 8ma
2 2 2

E = ....(3)

m = Mass of the electron a = Side of cubically shaped metal.

Number of energy states with a particular value of E depends on the possible combinations of quantum numbers having the same value of n.

To calculate the number of energy states with all possible energies, with n as radius, construct a sphere in 3 Dim space and every point within the space represents an energy state.
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Also every integer represents one energy state, unit volume of this space contains exactly one state.

Hence the number of states in any volume is equal to the volume expressed in units of cubes of lattice parameters.

The sphere is further divided into many shells and each of this shell represents a particular combination of quantum numbers (nx, ny and nz) and therefore represents a particular energy value.

4 Therefore, the number of energy states within a sphere of radius (n) = n 3. 3

Since n can have only positive integer values, we have to consider only one octant of the sphere.

In 3D view, whatever the portions taken in the co-ordinate planes - Octant


44 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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In 3D view, whatever the portions taken in the co-ordinate planes - Octant

An octant is one of the eight divisions of a Euclidean 3 D coordinate system

Consider a cube - perpendicular cut and bisect it - Octant

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Hence available energy states =

1 4 n3 8 3

FG H

IJ K.

In order to calculate the number of states within a small energy interval E and E + dE, we have to construct two spheres with radii n and (n + dn) and calculate the space occupied within these two spheres.

Similarly, the number of available energy states within the sphere of radius 1 4 ( n + dn ) 3 n + dn =

LM 8 N3
3

OP Q

Therefore number of available energy states between the shells of radius n and n + dn (or) between the energy levels E and E + dE is given by N(E) dE =
1 4 n + dn 8 3

FG b H

IJ 1 FG 4 n IJ g K 8H 3 K

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1 4 n 3 + dn 3 + 3n 2 dn + 3ndn 2 n 3 8 3

FG IJ H K
.......(4)

Omitting higher powers of dn N(E) dE =


n 2h 2 8ma 2
8ma 2 h
2
2

2 n dn 2

From equation (3), E = n2 =


E
1/ 2 2

.......(5)

F 8ma I GH h JK

E1/ 2

.......(6)

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Also differentiating eqn. (5) we get, =


h 4ma 2 h
2 2

2ndn
dE

8ma

n2

8ma 2 = E 2 h

....(5)

ndn

dE

.......(7)
2 1/ 2

Substituting eqns. (6) & (7) in eqn. (4)

N(E) dE =
2 1/ 2 1/ 2

n ndn 2

b g
2

n =

F 8ma I GH h JK
2

E 1/ 2

=
2

8ma 2 h2

E
3/ 2

F 4ma GH h
2

I dE J K
E 1 / 2 dE
.......(8)

N(E) dE =

F I GH JK F 8ma I 4G h J H K
2

48 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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Density of states is given as number of energy states per unit volume,


2 3/ 2

i.e., Density of states,


2

F 8ma I 4G h J H K E 1 / 2 dE a3
3/ 2

Z(E) dE =
Z(E) dE =
8m 4 h2 E 1 / 2 dE

FG IJ H K

.......(9)

According to Paulis exclusion principle, each energy state can accommodate two electrons (one spin up and another spin down). Hence the number of energy states available for electron occupancy is given by

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3/ 2

8m Z(E) dE = 4 h2 E 1/ 2 dE 2
3/ 2

FG IJ H K
E 1/ 2 dE

8m Z(E) dE = 2 h2

FG IJ H K

.......(10)

The above equations represents the density of states

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Carrier Concentration in metals

Let N (E) dE represents the number of filled energy states between the interval of energy dE.

Normally all the energy states will not be filled.

The probability of filling of electrons in a given energy state is given by Fermi function F (E). = Z (E) dE. F (E) .......(12)

N (E) dE

We know density of states Z(E) dE as


3/ 2

Z(E) dE =

8m 2 h2

FG IJ H K

E 1/ 2 dE

.......(11)

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Number of filled energy states per unit volume =


2

N(E) dE

8m
E 1/ 2 dE . F ( E )

3/ 2

LM OP 2Nh Q

.......(13)

N (E) is known as Carrier distribution function (or) Carrier concentration in metals.

In the case of a material at absolute zero, the highest occupied level is EF and for all the levels below EF , F(E) = 1

[Since at 0 K, the maximum energy level that can be occupied by the electron is called fermi energy level (EF)]

Therefore, integrating eqn.(13) within the limits 0 to EF, we can get the density of electrons within the fermi energy level.
EF 3/ 2 0

z
dn

8m 2 h2

FG IJ H K

E 1 / 2 dE

(Since F(E) = 1)
52

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3/ 2 EF 0

=
3/ 2 EF 0

8m 2 h2 E 1 / 2 dE

=
2

FG IJ H K F 8m I G J 2Hh K
2 3/ 2 E 3
3/ 2 3/ 2

n =
F

8m 3 h2

FG IJ b E g H K

.......(14)

Equation (14) gives the carrier

concentration (or) density of charge carriers at 0K.

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The above equation can be rewritten in terms of EF as


2 3/ 2

EF3/2 = =

3n F h I G 8m J H K
2/ 3

EF = 3.65 x 1019 . n2/3 eV

F h I FG 3n IJ GH 8m JK H K
2

.......(15)

EF

Hence the Fermi energy of a metal depends only on the density of electrons of that metal.

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Mean energy of electron at absolute zero

To estimate the average electron energy at absolute zero, let us calculate the total energy ET at 0K. =
Total ener gy of the el ectr ons at 0 K ( ET ) Number of ener gy states at 0 K ( n )

Average energy of an electron ...(16)

(Eave)

H er e, thetotal ener gy of the el ectr ons at 0 K

=
EF

FG Number of ener gyIJ x FG Ener gy of IJ H states at 0 K K H the el ectr onK

ET =
0

z
N E dE x E

bg

Substuting eqn. (13) in above equation we get


EF

ET =

3/2

FG IJ bEg 2 H K
8m h2

1/2

. F (E) . dE .
N (E) dE

55

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Since the temperature is 0K,


EF 3/ 2

F(E) = 1
1/ 2

ET
0

=
EF 3/ 2 3/ 2

z
8m 2 h2 . E . dE

FG IJ b E g H K
dE

=
0

8m 2 h2
EF 0
5/2

3/ 2

=
2
3/ 2

52

=
2 F

FG IJ b E g z H K F 8m I 2 GH h JK 5 E 2 F 8m I 2 GH h JK 5 b E g 2
3/ 2 5/2 F

ET

8m 5 h2

FG IJ b E g H K

.......(17)

Total energy of an electron at 0K

56 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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Substituting eqns. (17) and (14) in eqn. (16) we get


3/ 2

Mean energy at 0K is, Eave =

ET n

8m 5/ 2 EF 5 h2 = 3/ 2 3 / 2 3/ 2 EF /2 8m8m 3 EF 3h 3 2 3 h

FG IJ b g H K FG b IJ g b b g g H K

The average energy of an electron at 0K is Eave =


3 EF 5

......(18)

57

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58 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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Particle in 1 dimensional box

Consider a particle(e-) of mass m moving along x-axis in 1 dim potential box of width l and of infinite height.

The particle is bouncing back and forth between the walls of the box. (i.e.,) particle is moving to and fro between the two walls at x=0 and x=l.

When it collides with the wall, then there is no loss of energy of the particle.

Hence, the collisions are perfectly elastic.

So there is no change in potential energy V.

The P.E V of the particle inside the box is constant and can be taken as zero for simplicity.
59

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Particle in 1 dimensional box

Since the walls are of infinite potential, the particle does not penetrate out from the box.

We may express the fact by saying that outside the box, the potential energy is finite as shown in figure. In other words we can write the boundary conditions as V(x) = 0 when 0 < x < l V(x) = when 0 x l

The particle cannot exist outside the box and on the walls of the box and so its wave function is 0 for x 0 and x l.
60 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

Our task is to find the wave function of the particle within the box.

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Particle in 1 dimensional box

Let us consider the Schrdinger one dimensional time dependent wave equation is

d 2 2m + 2 ( E V ) = 0 dx 2

Inside the potential well, P.E = 0, the Schroedingers time independent wave equation becomes,
d 2 2m + 2 E = 0 2 dx d 2 + k 2 = 0 dx 2
k =
2

2mE
2

This is the wave equation for a free particle inside a potential well.
61

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Particle in 1 dimensional box

Equation (2) is a second order differential equation, therefore it should have solution with two arbitrary constants.

Therefore the general solution of equation (2) is

( x ) = A sin kx + B co s kx

where A and B are called arbitrary constants which can be found by applying the boundary conditions.

Boundary Condition (i) at x=0, P.E V=

Therefore there is no chance for finding the particle at the walls of the box. ( x) = 0
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Particle in 1 dimensional box

E q u atio n (3 ) b eco m es
0 = A sin 0 + B co s0 0 = 0 + B (1 ) B= 0

Boundary Condition (ii) at x=l, P.E V=

Therefore there is no chance for finding the particle at the walls of the box.

0 = A s in k l + B c o s k l

( s in c e B = 0 f r o m 1 s t b o u n d a r y c o n d it io n )

A s in k l = 0 s in k l = 0 k l = n n
l
63

k =

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Particle in 1 dimensional box

where n is an integer and can have values 1,2,3.

( x ) = A sin

n x l

Energy of the particle (electron)


k2 =
2

We know that
= 2mE

2mE

(
h 2

8 2 m E = h2

n 2 l2

8 2 m E = h2 n2h2 E = 8m l 2
64

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65 Dr Selvakumar, Dept of Physics, R.M.D Engineering College

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