ICET Module III Quantum Mechanics And Nanotechnology

QUANTUM MECHANICS
Quantum Mechanics
Up to 19th century, classical mechanics proposed by Newton was enough to explain all types of
motion. But to understand and deal the laws of particles or bodies on the atomic and subatomic scale, a new
branch was introduced called quantum mechanics.
Classical Mechanics failed to explain photoelectric effect, atomic structure, optical spectra, black
body radiation. But after the introduction of Planck’s quantum theory, all these are successfully explained.
Quantum theory: According to Quantum theory, energy or radiation is emitted or absorbed by matter in
discrete packets called quanta. Each quanta of energy is called photon.
It can be represented as E = h. where h = 6.626 × 10−34 Js ( Planck’s Constant)
Matter waves: De Broglie concept
According to De Broglie, a wave is associated with a particle in motion and is called matter waves or
h h
De Broglie waves. Its wavelength is  = p = where m is the mass of the particle and p is its momentum.
mv

1 P2
• If KE of moving particle is given by E = 2 mv 2 = 2m or P = √2mE
𝐡 𝐡
Then De Broglie wavelength  = =
𝐩 √𝟐𝐦𝐄

• If an electron is accelerated by a potential V,

𝐡 𝐡
then De Broglie wavelength  = 𝐩 = ( since E = eV)
√𝟐𝐦𝐞𝐕

Putting the values of h = 6.626 × 10−34 Js, mass of electron, m = 9.1 × 10−31 kg
𝟏𝟐.𝟑 𝟏𝟓𝟎
and charge of electron , e = 1.6 × 10−19 C, we have  = A or  = √ A
√𝐕 𝐕

Heisenberg’s Uncertainty Principle

(i) Uncertainty in position and momentum
According to Heisenberg’s Uncertainty principle, it is impossible to measure both the position and
momentum of an object precisely at same time.
If x is the uncertainty in position and p is the uncertainty in momentum, then
ħ h 𝐡
xp  where ħ = 2 i.e., xp 
𝟐 𝟒

(ii) Uncertainty in energy and time

According to energy-time uncertainty principle, the energy of an object can be uncertain by an
ħ
amount E for a time t. i.e., Et 
𝟐
ħ
(iii) Uncertainty in angular displacement and angular momentum: Jx .   𝟐

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ICET Module III Quantum Mechanics And Nanotechnology
Applications of Uncertainty Principle
Some atomic phenomena can be explained using uncertainty principle.
(i) Non existence of electron in the nucleus:
The nucleus of the diameter is in the order of 10-15m. If an electron exists in the nucleus, it can be
anywhere within the diameter of the nucleus. Then the uncertainty in position, x = 10-15m.
ħ ħ h 6.626×10−34
By Uncertainty principle, xp  or p = 2𝑥 = = 4×3.14×10−15 = 5.27 × 10−20kgm/s
2 4𝑥

i.e., the momentum of the electron p must be the order of 5.27 × 10−20 kgm/s
We have E = pc = 5.27 × 10−20 × 3 × 108 = 15.81 × 10−12J
15.81×10−12
E= eV = 98.8MeV
1.6×10−19

For an electron to exist in the nucleus, it must have an energy of this order. However, the energy of
electron is of order of few MeV. So electrons cannot present within the nucleus.
(ii) Uncertainty in frequency of light emitted by an atom (spectral lines have a finite width or
natural line broadening)
If an atom is in the excited state, it undergoes a transition to the lower energy state. Such an atom
remains in the excited state for about 10−8 second. i.e., 𝑡 = 10−8s
ħ
We have E𝑡  2
h 1
 = = 4×3.14×10−8 = 0.7 × 107 Hz = 7MHz.
4×h×𝑡

Here the uncertainty in frequency is of the order of MHz. So this width  of the emitted line is
experimentally observed. That means the emitted spectral line is not sharp. This broadening of spectral line
which cannot be reduced further is known as natural line broadening.
Schrodinger Wave Equation – Time Dependent Equation
In quantum mechanics, the state of a particle is described by the wave function . Schrodinger wave
equations are the equation of motion which governs the propagation of matter waves.
Consider a particle moving forward along the x-direction with momentum P. The wave function of
the particle is (𝑥,𝑡) = 𝐴𝑒 𝑖(𝑘𝑥−𝑡) → (1)
h E
Since  = 2 = 2 h = ħ
h
Substituting for  and k in equation (1), we get, We have  =
p
2 2p p
𝑖
(𝑝𝑥−𝐸𝑡)
Also, k =  = or k = ħ
(𝑥,𝑡) = 𝐴𝑒 ħ → (2) h

1
Total energy of a particle is the sum of kinetic energy and potential energy. i.e., E = 2 𝑚v 2 + V
P2
E = 2𝑚 + V
P2
Multiplying both sides by , we get, E = 2𝑚  + V → (3)

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ICET Module III Quantum Mechanics And Nanotechnology
𝑖
 (𝑝𝑥−𝐸𝑡)
→ (4)
𝑖
Differentiating equation (2) w.r.t x, = A𝑒 ħ ×ħp
𝑥

2  𝑖
𝑖2
Again differentiating eqn (2) w.r.t x, = A𝑒 ħ(𝑝𝑥−𝐸𝑡) × 2 p2
𝑥 2 ħ
2  p2
=− 2 ×
𝑥 2 ħ
2
2  
P  =−ħ
2
→ (5)
𝑥 2

 𝑖 −𝑖
= A𝑒 ⁄ħ(𝑃𝑥−𝐸𝑡) 
−𝑖
Differentiating eqn (2) w.r.t time, E = E
𝑡 ħ ħ


i.e., E = i ħ → (6)
𝑡

 −ħ𝟐 𝟐 
Substituting, P 2  and E in eqn (3), we get, i ħ = + V
𝒕 𝟐𝒎 𝒙𝟐

This is Schrodinger’s time dependent equation in one dimension.

 −ħ𝟐 2  2  2 
In three dimensions, i ħ =  𝟐
+ V where   = 2
+ +
𝒕 𝟐𝒎 𝑥 2 𝑦 2 z2

 −ħ2
Here we have , i ħ =( 2 + V) 
𝑡 2𝑚


or i ħ ̂  where H
=H ̂ is the Hamiltonian operator.
𝑡

 −ħ𝟐
For free particle, PE = V = 0, then i ħ = 𝟐 
𝒕 𝟐𝒎

Time independent Schrodinger Equation

In some cases, potential energy V of a particle does not depend on time, it varies with the position of
the particle only and then the field is said to be stationary. In such stationary problems, Schrodinger
equation can be simplified by separating out time- dependent and position – dependent parts. Accordingly,
we write the wave function as a product of a function of position x (𝑥 ) and a function of time t (𝑡 )

Thus (𝑥,𝑡) = 𝑥 𝑡 → (1)

2   
2
Differentiating (1) w.r.t x twice, = 𝑡 2 → (2)
𝑥 2 𝑥

 
Differentiating (1) w.r.t t, we get = 𝑥 𝑡 → (3)
𝑡

 −ħ2 2 
Time dependent Schrodinger equation is i ħ = + V → (4)
𝑡 2𝑚 𝑥 2

Substituting (2) and (3) in (4),

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ICET Module III Quantum Mechanics And Nanotechnology
−ħ2 2
  
i ħ𝑥 𝑡 = 𝑡 2 + V𝑥 𝑡
2𝑚 𝑥

1  −ħ2 1 2 
Dividing throughout by 𝑥 𝑡 , i ħ  𝑡 = +V
𝑡 2𝑚 𝑥 𝑥 2

The LHS is a function of t alone while the RHS is a function of x alone. For the equation to be consistent,
each side must be equal to same constant K.
 −𝑖
= K𝑡
 ħ

−𝑖
K𝑡
Integrating, (t) = 𝑒 ħ
−𝑖
(𝑥,𝑡) = 𝑥 𝑒 ħ K𝑡 → (5)


Differentiating (5) w.r.t t, = −𝑖ħ K or K = 𝑖 ħ 
𝑡
→ (6)
𝑡

Here we can see that K is identical with E, the total energy.

−ħ2 1 2 
Then we can write, +V = E
2𝑚 𝑥 𝑥 2

ħ2 2 
Or + (E − V) = 0
2𝑚 𝑥 2

2  2𝑚
Or, + 2 (E − V) = 0
𝑥 2 ħ

This is Schrodinger’s time-independent equation in one dimension or also called as steady state form of
Schrodinger equation.

For free particle, PE = V = 0, then one dimensional time independent Schrodinger eqn becomes

𝟐  𝟐𝒎
+ 𝐄 = 0
𝒙𝟐 ħ𝟐

𝟐𝒎
In three dimensional, 𝟐  + (𝐄 − 𝐕) = 0
ħ𝟐
Wave function ()
It is a mathematical function which describes the state of a particle or a system. It is a function of
position coordinates and time.  = (𝑥,𝑦,𝑧,𝑡) . Wave function  is a complex quantity. Wave function 
describes the behavior of a single particle.
 Probability density: The wave function  itself has no physical meaning, but the square of
absolute magnitude ||2 or  gives the probability of finding the particle in unit volume (probability
density), where  is the complex conjugate of . i.e., P(x) =  = ||2

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ICET Module III Quantum Mechanics And Nanotechnology
, as such, is not an observable (physically measurable quantity). But  is an observable. This is
the statistical interpretation of .

 Normalization: Since the square of modulus of a complex valued function is non negative, so is

 = ||2 . A wave function that satisfies the condition ∫−  𝐝𝒙𝐝𝒚𝐝𝒛 = 1 →

(1) is called a
normalized wave function and is called normalization condition. This condition means that the probability to
find the particle somewhere in the whole region where the particle is trapped is unity. The solution of
Schrodinger equation need not satisfy this above condition directly. But we can normalize it by multiplying
the function by a suitable constant called normalization constant.Essential requisites for a well behaved
wave function (constraints on wave function) for a given system are

 Wave function  should be single valued.

 Wave function  should be finite.

 2 
 Wave function and its derivatives , etc must be continuous .
𝑥 𝑥 2

  must be a normalized function.

Operators
In quantum mechanics, every observable quantity of classical mechanics like position, momentum,
energy etc are represented by a linear operator.
Operator transform one function to another.
• Energy Operator:
𝑖
We have (𝑥,𝑡) = A𝑒 ⁄ħ(𝑃𝑥−𝐸𝑡)
 𝑖 −𝑖 −𝑖
Differentiating w.r.t time t, = A𝑒 ⁄ħ(𝑃𝑥−𝐸𝑡)  ħ E = E
𝑡 ħ


i.e., E = i ħ
𝑡


Here the energy operator is E = i ħ
𝒕
• Momentum Operator:
⁄ (𝑃𝑥−𝐸𝑡) 𝑖
We have (𝑥,𝑡) = A𝑒 ħ
 𝑖
= A𝑒 ⁄ħ(𝑃𝑥−𝐸𝑡)  P =
𝑖 𝑖
Differentiating w.r.t x, P
𝑥 ħ ħ


P = − i ħ
𝑥

Here the momentum operator is P = − i ħ
𝒙
In 3D, momentum operator is P = − i ħ

• Kinetic Energy Operator:

1 P2
We have, KE = 𝑚v 2 = where m is the mass of the particle.
2 2𝑚
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ICET Module III Quantum Mechanics And Nanotechnology
P2 1  2
So, KE operator Ek = = (− 𝑖 ħ 𝑥)
2𝑚 2𝑚
𝟐
ħ𝟐 
Ek = −
𝟐𝒎 𝒙𝟐
ħ𝟐
In 3D, kinetic energy operator is Ek = − 2
𝟐𝒎
• Hamiltonian Operator/ Total Energy Operator:
𝑃2
TE = + V Here TE is equal to the Hamiltonian function.
2𝑚
𝑃2
H(𝑥,𝑝𝑥 ) = + V
2𝑚
ħ𝟐  𝟐
𝐇(𝒙,𝒑𝒙 ) = − + V(x)
𝟐𝒎 𝒙𝟐
ħ𝟐
In 3D, Hamiltonian operator, 𝐇(𝒙,𝒑𝒙 ) = − 𝟐 + V(x)
𝟐𝒎
Eigen value and Eigen function
̂  = a  is called eigen value equation where A
An equation of the form 𝐀 ̂ is an operator and a is a

scalar called an eigen value. The function  is called an eigen function of the operator A
̂ . In an eigen value

equation, the operator transforms the function  with a number a multiplied to it.
In quantum mechanics, a dynamical variable is represented by a linear operator. The state of a
physical system corresponding to an eigen value is called an eigen state. It is represented by eigen function
of the operator having the particular eigen value. Eigen values represent the only possible value of that
property of the system in that state.
 Schrodinger equation is an eigen value function.
2
ħ
(− 2𝑚 2 + V) = E

ħ2
̂ =−
̂  = E where H
H 2 + V is Hamiltonian operator.
2𝑚

Here E is the eigen value and  is the eigen function.

Particle in a one dimensional infinite square well potential
 
Consider the motion of a particle of mass m confined to move
V
between two walls of infinite height at x = 0 and x = L.
V=0
The width of the box is L. Let this is moving along x - direction.
The particle is bouncing back and forth between the walls of the box. m
Potential energy is V = 0, everywhere within the walls
x=0 x=L x
and V =  outside the wall. L
V = 0 for 0 < x < L
V =  for x  0 and x  L
2  2𝑚
One dimensional Schrodinger equation is + (E − V) = 0
𝑥 2 ħ2
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 ICET Module III Quantum Mechanics And Nanotechnology
Inside the box, V = 0, then 1D Schrodinger equation becomes,

𝟐  𝟐𝒎
+ 𝐄  = 0 → (1)
𝒙𝟐 ħ𝟐

2𝑚E 2 
Putting = k 2 , then eqn (1) becomes, + k2  = 0 → (2)
ħ2 𝑥 2

The general solution of the equation is  = A 𝐬𝐢𝐧 𝐤𝒙 + B 𝐜𝐨𝐬 𝐤𝒙 → (3)

Now we apply the continuity condition on . Since it is impossible to find the particle outside the box, 
must be zero for all points outside the box.

ie,  = 0 for x  0

 = 0 for x  L

Applying first condition at x = 0 on eqn (3), 0 = A sin 0 + B cos 0 .

Then B = 0

Then eqn (3) becomes  = A 𝐬𝐢𝐧 𝐤𝒙 → (4)

Using the condition at x = L on eqn (3), we get 0 = A 𝐬𝐢𝐧 𝐤𝐋

Since A  0, sin kL must be equal to 0. Hence sin kL = 0

𝐧
Or kL = n where n is the integer or k= → (5)
𝐋

𝐧
Hence the eqn (4) becomes 𝐧 = A 𝐬𝐢𝐧 ( 𝐋 ) 𝒙 → (6)

𝐿
To find A, apply the normalization condition, ∫0 ||2 d𝑥 = 1

𝐿 n n
i.e., ∫0 A sin ( ) 𝑥 . A sin ( ) 𝑥 d𝑥 = 1
L L

𝐿 n
A2 ∫0 sin2 ( L ) 𝑥 𝑑𝑥 = 1

A2 𝐿 n𝑥
2
∫0 [1 − cos2 ( L
)] 𝑑𝑥 = 1

2 n𝑥 L 2 n𝐿
A2 sin
L A2 sin
L
[𝑥 − n ] = 1 or [𝐿 − n ]=1
2 2 2 2
L 0 L

A2 𝟐
Since sin2n = 0, ×L =1 Or A = √𝐋 → (7)
2

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ICET Module III Quantum Mechanics And Nanotechnology

Thus eqn (6) becomes 𝐧 = √𝐋 𝐬𝐢𝐧 ( 𝐋 ) 𝒙 .

𝟐 𝐧
This is the normalized wave function of particle in a
potential box of length L. 

3

E3

2

E2

1
E1
x=0 x = L
Energy eigen values Wave function of first three energy level
2𝑚E
We have = k2 .
ħ2

k2 ħ2 n
2 ħ2 n2 2 ħ2
Then E = =( ) ( )=
2𝑚 L 2𝑚 2mL2

𝐧𝟐 𝟐 ħ𝟐
i.e., E = where n = 1,2,3,…..
𝟐𝐦𝐋𝟐
 2 ħ2
For ground state, n = 1, E1 =
2mL2
(2)2 2 ħ2
For n = 2, E2 = = 4E1
2mL2
(3)2 2 ħ2
For n = 3, E3 = = 9E1…………….
2mL2
2 n
Different values of energy for n are called energy eigen values and n = √L sin ( L ) 𝑥 is eigen

function.
According to quantum mechanics, a system can take only certain specific energies. Such discrete energies
are the energy eigen values of the Schrodinger equation for the system.
Quantum Mechanical Tunneling
Consider a particle of mass m and energy E < V0 incident on a potential barrier V0. Quantum
mechanically, there will be a finite probability for the particle to penetrate through a barrier even if E < V 0.
This phenomenon of tunneling through barriers higher than their own incident energy is known as tunneling
in quantum mechanics. V0
transmitted
I II wave
III

Incident wave
0 L

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ICET Module III Quantum Mechanics And Nanotechnology
The solution of the Schrödinger equation for the particle gives the wave function for the three
regions.

The concept of barrier penetration is used to explain a number of phenomenon in physics. Some of
them are as follows.

(i) The emission of -particles from radioactive nuclei.

(ii) Barrier penetration in electronic devices such as tunnel diode and Josephson junction.

(iii) Electron tunneling in scanning tunneling microscope.

NANOTECHNOLOGY
Most of the properties of a solid depends on size of the solid. When size of the material becomes
smaller and smaller, the properties of materials change drastically in

Most of the nanomaterials exhibit remarkable variations in physical properties as compared to bulk materials. The
cause of variation may be due to following facts.
(i) Large ratio of surface to volume
(ii) Quantum confinement
(iii) Large surface energy
(iv) Reduced imperfections.

Surface area to volume ratio

Surface area to volume ratio in nanoparticle have a significant effect on the nanoparticle properties.
Nanoparticles have a relatively larger surface area when compared to the same volume of the material.

Let us consider a sphere of radius r, the surface area of the sphere is 4r 2 and the volume of the
4
sphere is 3r 3 .

4r2 3
The surface area to volume ratio = 4 =𝑟
r3
3

It means that the surface area to volume ratio increases with the decrease in radius of the sphere and
vice versa. It can also be concluded here that when given volume is divided into smaller pieces, the surface
area increases. So a greater portion of the atoms are found at the surface compared to those inside. Therefore
nanoparticles have a much greater surface area per unit volume compared with the larger particles. It leads
nanoparticles to become more chemically reactive. As growth and catalytic chemical reaction occurs at
surfaces, a given mass of nanomaterials will be much more reactive than the same mass of material made up
of large particles.
Quantum confinement

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ICET Module III Quantum Mechanics And Nanotechnology
The phenomenon of the nonzero lowest energy and quantization of the allowed energy levels
arising from the confinement of electrons within a limited space. The physical properties of
semiconducting nanostructures arise from quantum confinement.
Consider the motion of an electron in a small length L, but with two walls of infinite height at the
ends. The electron is confined to move in the portion x = 0 to x = L only.

3

E3

2
 0

V E2

1
V=0 E1
x=0 x=L

x=0 x=L x
Wave functions of first three energy levels
L
A one dimensional box of width L
Potential energy is zero, since there is no attraction or repulsion. Wave associated with motion of a
particle is called de Broglie wave or matter wave. The motion of the particle is such that the width of the one

dimensional box must be an integral multiple of . This is the formation of standing waves in the width L
2
n
of the box. i.e., L = where n = 1, 2, 3 …….
2
h
De Broglie wavelength  = p

p2 h2 h2 h2 n2 h2
Kinetic energy E = = 2 = 2 = 2L =
2m 2m 2m 2m( ) 2 8mL 2
n

Since potential energy is zero, the above expression gives the total energy.
n2 h2
 Total energy E = 8mL 2 where n = 1,2,3…….. is called the quantum number. The above expression can be

derived from Schrodinger’s equation in Quantum mechanics. The minimum energy is non zero and is given
h2 n2 2 ħ2
by E1 = 8mL 2 =
2mL2
The first excited energy is E2 = 4E1
Thus the possible energies are E1 , 4E1 , 9E1 ,…… where E1 is the ground state energy. This shows that
particle confined to move in a small space can have only particular energy values. It cannot have any value
of energy. Thus the quantum confinement leads to nonzero lowest energy and quantized higher energy
values.

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ICET Module III Quantum Mechanics And Nanotechnology
Quantum dot – Quantum confinement in 3D
Quantum dots are zero dimensional structures in which the electron is confined in all three
dimensions. Their energy states are quantized in all three directions.
In this case Schrodinger equation is
2𝑚
2 (𝑟⃗) + (E − V(𝑟⃗) )(𝑟⃗) = 0
ħ2
𝟐 𝟐 𝟐 𝑛(𝑥) 𝒙 𝑛(𝑦) 𝒚 𝑛(𝑧) 𝒛
(𝑥,𝑦,𝑧) = √ √L √L 𝐬𝐢𝐧 ( ) 𝐬𝐢𝐧 ( ) 𝐬𝐢𝐧 ( )
L (𝑥) (𝑦) (z) L(𝑥) L(𝑦) L(𝑧)

2 ħ2 n2𝑥 2 n2𝑦 2 n2𝑧 2

Energy values E𝑛 =
2m
[L 2 +
L(𝑦) 2
+
L(𝑧) 2
]
(𝑥)

Quantum dots are usually formed by a definite number of atoms. They are represented by atomic
clusters or nanocrystallites.
Quantum wire (Nano wires) – Quantum confinement in 2D
A nanowire or quantum wire is a wire of dimensions of the order of nanometers. This is called
quantum wire because their properties are governed by the law of quantum mechanics. Nano wire is a one
dimensional structure in which the electrons are confined in two dimensions and are allowed to move freely
along one dimension.
Suppose the carriers are confined in Y and Z directions to small distances L(𝑦) and L(𝑧) respectively
and free to move in x direction, then we have,
𝟐 𝟐 𝑛(𝑦) 𝒚 𝑛(𝑧) 𝒛
(𝑥,𝑦,𝑧) = √ √L 𝐬𝐢𝐧 ( ) 𝐬𝐢𝐧 ( ) e𝑖𝑘𝑥 𝑥
L (𝑦) (z) L(𝑦) L(𝑧)

ħ2 n2𝑦 2 n2𝑧 2 ħ2 K2𝑥

Energy values E𝑛 =
2m
[ L(𝑦) 2
+
L(𝑧) 2] + 2m

Nanowires can be used to link or connect tiny components in nanocircuits. Their area of applications
are electronics, optoelectronics and Micro Electro Mechanical Systems (MEMS).
Nanosheet – Quantum confinement in 1D
In nanosheet confinement is present in only one dimension. That is carriers are allowed to
movefreely along a two dimensional plane. Suppose the confinement is present along Z direction to a small
distance LZ and free to move along x and y directions.
Schrodinger equation in this case is
𝟐 𝑛(𝑧) 𝒛
(𝑥,𝑦,𝑧) = √ 𝐬𝐢𝐧 ( ) e𝑖𝑘𝑥 𝑥 . e𝑖𝑘𝑦 𝑧
L (z) L(𝑧)

ħ2 𝑧 n2 2 ħ2 K2𝑥 ħ2 K2𝑦
Energy values E𝑛 = [
2m L 2
]+ 2m
+
2m
(𝑧)

Properties of nanomaterials

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ICET Module III Quantum Mechanics And Nanotechnology
Mechanical Properties
* Nanomaterials have lower melting point and reduced lattice constant due to large surface to volume
ratio.
It is observed that nanoparticles of metals, semiconductors and molecular crystals have lower
melting point as compared to their bulk form, when the particle size is less than 100nm.
For example, melting point of gold decreases rapidly for nanoparticles with diameter below 5nm.
* Smaller structures have less surface defects. Hence, nanowires have mechanical strength much
greater than that of thick ones.
For example, copper with an average grain size of 6nm has 5 times higher hardness over a sample size
50micron. Strength of the material increases significantly as the particle size decreases.
* Hardness and yield strength of the material increases as the particle size is decreased.
* Nanostructured materials have high modulii of elasticity and their toughness also increases.
Optical Properties
As we go in nanorange, number of atoms decreases on the surface and hence the band gap is more.
Optical properties such as colour and transparency are observed to change at nanoscale level.
For examples,
Bulk gold – appears yellow in colour while nano gold appeare red, orange, purple or greenish depends on
the size.

Bulk silicon appears grey in colour while nanosized silicon appears red in colour.

Zinc oxide gives white appearance while nanoscale zinc oxide appears transparent.

Optical properties of nanomaterials are due

(i) to increase in energy level spacing- quantum size effect.
(ii) surface plasmon resonance (SPR)
Surface Plasmon Resonance (SPR): SPR is a dipolar excitation of the entire particle between the
negatively charged free electrons and its positively charged lattice.
Plasmon is the quantum of oscillation arising as a result of collective excitation in a plasma like system
composed of positive ions and free electrons. The Plasmon which is concentrated at surface of the material
are referred as Surface Plasmon. When the size of nanocrystal is comparable to the wavelength of incident
light, they exhibits different colours.
The electric field of an incoming light induces a polarization of the free electrons with respect to the ionic
core of a spherical metal particle. The net charge difference occurs at the nanoparticle surface. It acts as a
restoring force. Hence a dipolar oscillation of electrons is created with a certain frequency. Noble metals
have the resonance frequency in the visible light range. The surface Plasmon resonance is responsible for
colour of gold nanoparticles and silver nanoparticles in solutions. Analysis shows that the Plasmon
resonance depends on the particle size.
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ICET Module III Quantum Mechanics And Nanotechnology
The colouration of nanoparticles renders practical applications and some of the applications have been
explored and practically used.
Electrical Properties
Electrical conductivity of nanomaterials depends on increased perfection, reduced impurity and
dislocations. The electrical conductivity decreases with reduced dimensions due to increased surface
scattering. As the bulk material reduces its size, continuous energy bands are replaced by discrete energy
levels and bandgap increases as the size decreases. As a result, some metal nanowires undergo transition to
become semiconductors and semiconductors might become insulators when the diameter changes below a
critical value.
Electrical conductivity of nanomaterials may be enhanced due to better ordering in microstructure. Ballistic
conduction occurs when the length of the conductor is smaller than the electron mean free path. Tunneling
conduction is another charge transport mechanism in nanometer range.
Applications
Nanomaterials have very wide ranging applications.
* Nanotechnology can play a key role in the improvement of efficiency of fuel cells, storing hydrogen
in fuel cells.
* Nanomaterials are harder than conventional materials. Therefore, cutting tools and drills made of
nanocrystalline materials such as titanium carbide, tungsten carbide etc are harder and wear resistant. Nano
crystalline silicon nitride an dsilicon carbide are extremely useful for the manufacture of high strength
springs, ball bearings etc.
* In new generation batteries, nanomaterials can hold more energy as compared to the conventional
plates. Frequent recharging is not needed with nickel metal hydride (Ni-MH) batteries made of
nanocrystalline nickel and metal hydrides. The life time of such batteries is also much longer.
* Carbon nanotubes are used in nanoelectronics, batteries, displays, high strength composites, solar
panels etc. CNT are very efficient materials for the manufacturing of low cost solar panels. Composite
materials reinforced with CNT fibres are used for space applications. CNT employed solar panels will
significantly reduce the cost of solar panels for the conversion of solar energy into electrical energy at
affordable cost. CNT are very much stronger than steel and hence used for car bodies, aeroplanes, used as
armour on military vehicles etc.
* Nanomaterials are used in the preparation of cosmetic powder, spray perfumes and deodorants.
Finely dispersed pharmaceuticals are good in rapid drug delivery and hence reduced dosage for patients.
* When nanocrystalline powders compacted and applied as coating, they provide improved strength
and ductility to conventional materials like ceramics, composite materials and metal alloys.
* Nanoshells can be used to destroy cancer cells.
* Quantum dots may be used in future for locating cancer tumours.
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 ICET Module III Quantum Mechanics And Nanotechnology
* Nanoparticle can be used to improve MRI images of cancer tumouirs.
* Nanocrystalline silver can be used to treat wounds.
* Nanotechnology is being used to reduce air pollution and can be used to reduce water pollution.
* Fabric with nanosized particle or fibres will improve its properties without increase in weight,
thickness or stiffness.
* By using nanomaterials air leakage from tennis balls can be minimized.
* Nanorods can be used as cleaning agent.
* TiO nanoparticles in sunscreen film can absorb harmful ultraviolet radiation.
* Nanoparticle can be used in better packaging of food items.

Excitons
When an atom at a lattice site loses an electron, the atom acquires a positive charge and is called a
hole. If the hole remains localized at the lattice site and the detached negative electron remains in its
neighbourhood, it will be attracted to the positively charge hole through Coulomb interaction and can bound
to form a hydrogen type atom. This bound pair of electron-hole is known as exciton.
Exciton has the properties of a particle, it is mobile and able to move around the lattice. The electron
and hole forming a given exciton could be physically close to each other or separated by a few lattice
spacing. If ‘d’ is the dimension of nanoparticle and 𝑎𝑒𝑓𝑓 is the exciton radius, then
d > 𝑎𝑒𝑓𝑓 - weak confinement
d < 𝑎𝑒𝑓𝑓 - strong confinement
d >> 𝑎𝑒𝑓𝑓 - no confinement

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