Wave Particle Duality and Heisenberg Principle, Schrodinger Wave Equation, Fermi-Dirac and Bose-Einstein Distributions

NPTEL Electrical & Electronics Engineering Semiconductor Nanodevices
Wave Particle Duality and Heisenberg

Principle, Schrodinger Wave Equation,
Fermi-Dirac and Bose-Einstein Distributions
R. John Bosco Balaguru

Professor
School of Electrical & Electronics Engineering
SASTRA University
B. G. Jeyaprakash
Assistant Professor
School of Electrical & Electronics Engineering
SASTRA University
Joint Initiative of IITs and IISc Funded by MHRD
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Table of Content
1 INTRODUCTION. 3
1.1 THE FAILURE OF CLASSICAL MECHANICS .3
1.2 ORIGIN OF MATTER WAVES ...3
2 WAVE PARTICLE DUALITY .5

2.1 DUALITY RELATION .............................5
3THE PRINCIPLE OF UNCERTAINITY............................................7

3.1 CONCEPT 7
3.2 STATEMENT ..7
4 SCHRDINGER WAVE EQUATION .8

4.1 WHY SCHRDINGERS EQUATION FOR NANOSTRUCTURED SYSTEMS? ..8
4.2 SCHRDINGERS EQUATION .9
5 FERMI-DIRAC AND BOSE-EINSTEIN DISTRIBUTIONS 10

5.1 NEED FOR STATISTICS ..10
5.2 BOSE EINSTEIN STATISTICS .10
5.3 CONCEPTS 11
5.4 INFERENCES 12
5.5 FERMI DIRAC DISTRIBUTION ...12
6 SOLVED PROBLEMS .14

7 REFERENCES ..17
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1 Introduction
1.1 The failure of classical mechanics
Bohrs theory of atoms proposed in 1913 was able to account for the basic laws of
the theory of thermal radiation and spectroscopy, yet the explanation about the obtained
spectra was not sufficient. Classical physics was able to calculate the brightness of
spectra but could not account for their origin. Quantum physicson the other hand was
able to explain the essence of spectra but could not calculate the brightness of the spectra.
Bohr concluded that both the theories should be harnessed to extend the areas
where they more or less coincide. Bohr rejected the classical views on electron motion
and introduced the concept of electron orbiting the nucleus the same way that the earth
moves round the sun. His theory gave the correct explanation for the photons origin in
atom but its process remained unanswered and did not follow any of its postulate.
Bohrs theory was a tremendous leap (step forward) in understanding atomic
world yet its limitations had to be broken down with the aid of quantum tool, which
emerged very soon in the form of dual nature concept.
1.2 Origin of matter waves

In 1929, a remarkable article by a then unknown French physicist, Louis de
Broglie, appeared in the September issue of English Philosophical Magazine, in which
the author described the possible existence of matter waves. That was the era, where the
electromagnetic waves and sound waves were known, which are quite material in the
sense that they can be perceived by our sensory organs or recording instruments. The de
Broglie waves on the other hand were not perceivable.
To elucidate on the significance of the discovery of the matter waves, let us try to
understand the difference between the matter waves and other types of waves. Last
century physicists discoveredthe sound (mechanical) and light (electromagnetic) waves.
Sound waves need medium like air, water and matter generally for its propagation i.e., on
the moon, spacecraft will start up in absolute silence. But the light waves on the other
hand need no medium i.e., on the moon, astronauts will watch dazzling fire eject from the
bottom of their space rocket in complete silence. Thus, in vacuum one can see and
cannot hear.The matter waves proposed by de Broglie are unorthodox and paradoxical
and do not resemble either mechanical or electromagnetic waves. Anyway, what are
these matter waves?
De Broglie suggested that these waves are generated due to the motion of
anybody like a planet, a stone, a particle of dust or an electron. We usually device
instruments to detect waves outside the natures window of human detectable range;
human eye (0.4 to 0.7 microns) and ear (20-20kHz). But then, why cant we see or detect
de Broglie waves?
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For example, radio receivers pick up radio waves alone; scintillation counters
detect gamma rays and so on. Therefore, matter waves should also be detectable by an
appropriate detector. However, to understand why they remain obscure, we should
consider the wavelength of the matter waves proposed by de Broglie,
h
mv
Let us consider three objects of different scale in mass and dimensions; (a)the
planet(earth), (b)human body and (c)an electron, to understand the secret of why matter
waves are imperceptible.
a) For planet earth: The mass of the earth is 6x1027 and its velocity of orbital motion
(around the sun is 3x106 cm/sec approx). Then its de Broglie wavelength is
6.6 x10 27
h
=
= 36 x10 61 cm
27
6
mv 6 x10 x3x10
This value is extremely small and no existing instrument can record something that small.
b) Let us calculate the wavelength of a human, whose weight is 50x103gm, moving with
a speed of 85 cm per sec. From de Broglies wavelength formula,
6.6 x10 27
= 1.38 x10 33 cm
3
56 x10 x85
Even this is too small to be ever detected by the present instruments.

c) Now let us consider the matter waves for electron. It has a mass of 10-27 gm. The
electron will acquire a velocity of 6.1x107 cm/sec when it is placed between an electric
field of potential difference one volt then the wavelength of the matter wave is,
6.6 x10 27
= 10 7 cm
7
27
6 x10 x10
This corresponds to the wavelength of x-rays and is detectable with the principle of
diffraction.
Hence the presence of matter waves at the nano scale dimensional particle is
traceable and so the presence of nanoparticle could be analyzed in terms of de Broglie
wavelength. The detection of matter waves confirms the presence of moving particle say
electron which ultimately decides the conductivity in nano devices. Hence de Broglie
concept got its significance at the nano dimensions.
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With this brief introduction, let us start the discussion on the first module of our course.
2 Wave particle duality

The realization of matter at the finest level leads to a new branch of physics
quantum physics the ultimate conceptual basis to study and implement Nanoscience. It
is the field of optical science which made the scientiststhinksaway from corpuscular
theory to explain few phenomenons in optics such as interference. The concept of dual
nature of particles came into existence to satisfy the above mentioned properties as it was
first proposed by Louis de Broglie in 1923 A.D. The presence of matter waves was first
experimentally verified by C.J. Davisson and L.H.Germer at the Bell Telephone
Laboratories. Later many confirmatory experiments were carried out (like e/m), which
suggested particle nature of matter.
2.1 Duality relation

The relation between energy E and frequency of a photon as given by Einstein
is
E = h
(1)
Assuming particle nature of photons, then the energy E of photon as obtained by

Compton effect is
(2)
E 2 = p 2 c 2 + m02 c 4 ,
which yields
E = pc
(3)
Eqn. 3, is obtained by considering the rest mass of the photon.

Thus, comparing Eqn. 1 and 3, we obtain
p = h / c
or,
p = h/
This gives the relation between wave and particle nature of photons. Hence Louis
de Broglie proposed that, all moving particles have wave nature and the wavelength is
given by,
= h / p = h / mv
From photons this duality nature was extended to sub atomic particles such as
electrons and protons which follow the quantum mechanical laws for its behaviour.
These particles (matter) exhibitboth particle and wavebehaviorssimultaneously.
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Thus, de Broglie related the particle and wave natures of matter by providing a
relation between the particle properties; mass and velocity and its wave property viz.
wavelength. From the example discussed about the de Broglie wavelength associated
with planet earth, human being and an electron, it can be seen that de Broglie wavelength
reduces with the mass. The wavelength is length in space over which there is probability
of finding the particle at a given instant. Therefore, we can say that with the increase of
mass, the matter prefers particle nature.
Louis de Broglies review: If it is possible for the radiation to have the dual
nature, then it should also be possible for particles like electron to exhibit wave properties
under suitable conditions. In support to his view, he quoted three main points
* Nature is symmetrical
* There is a close parallelism between mechanics and geometrical optics
* The stable orbits for electron as proposed by Bohr.
Different forms of de Broglie wavelength:
h
h
=
p mv
h
Relating wavelength and kinetic energy, =
2m E k
Relating wavelength and momentum =
(i)
(ii)
(iii)
(iv)
since p = 2mEk i.e., for non-relativistic cases

The kinetic energy of a charged particle carrying q charges is given by E k
=qV where V is the accelerating potential then,
h
=
2mqV
The wavelength of the material particle in thermal equilibrium, is obtained by
rewriting the kinetic energy of the particle as E k = kT( k- Boltzmanns
constant and T equilibrium temperature) is,
h
h
=
=
2mEk
2mkT
Thus, the particles (matter) with velocity v have the wave nature associated with
it. This is resulted in wave mechanics an insight tool, which helpsin understanding and
predicting the particle nature of matter at the atomic scale as well as in its higher
dimension say nanodimension.
The evidence for matter waves was provided by several experiments. Few to be
mentioned are
Davisson and Germers electron diffraction experiments
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G.P. Thomsons experiment
Double silit interference pattern with electron
Straight edge diffraction pattern with electron
Braff reflection of Helium and Neutron beams
3 The principle of uncertainty
Werner Karl Heisenberg

Though classically, the determination of position and velocity of a moving particle is
possible, its satisfactory description fails at atomic dimensions
The uncertainty principle proposed by a German physicist Werner Heisenberg in 1927 is
a consequence of dual nature of matter i.e. wave nature of a particle.
3.1 Concept
There exists a fundamental limit in the accuracy of measuring variables such as position,
energy, momentum and angular momentum which describes the behavior of microphysical system.
3.2 Statement
Heisenberg principle can be stated as A particular pair of physical entities can
determined precisely and simultaneously only with a minimum tolerance of the order of
p x
E t
J
where, p momentum, x- position, E- energy, t- time, J- angular momentum, and angular position.
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Thus, uncertainty principle is the valley point or the limit of classical dynamics,
beyond which the quantum nature (duality nature) has to be employed to the particles
when the dimension of the system shrinks (from macro to atomic).
Few notable applications of uncertainty principles are
higher strength of nuclear force

absence of electron in the nucleus
stability of the atom
determination of binding energy of the hydrogen atom and radius where the
results matches the Bohrs theory.
4 Schrdinger wave equation

4.1 Why Schrdingers equation for nanostructured systems?
It is a partial differential equation which describes the physical status of the
quantum system in a time bounded situation (also in a time independent situation).
Austrian Physicist Erwin Schrdinger in 1924 formulated this equation of motion and
published in 1925.
Analogous to Newtons equation of motion in classical dynamics, Schrdinger
equation helps us to understand the dynamics of nano world, though it could be used in
studying the whole universe.
The terms that the Schrdinger equation involves are nothing but the energy terms
and these are conserved i.e.,
T.E.=P.E+K.E
Of course the energy is quantized. In other words, an electron in an atom can only
possess discrete values, which explains sharps lines observed in atomic spectroscopy.
The Schrdinger equation operates on the wave function, of a particle.
Tunneling effect is central idea in developing single electron transistors (SET)
and the next generation tunneling semiconductor components. The schrodinger equation
can be used to understand the concept of quantum tunneling and also to predict the
probability of tunneling.
So, Wave function means
In quantum mechanics, the description of a system-particle is given in terms of
wave function. The wave function has all relevant information about the system say its
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position, momentum, energy and so on. It is nothing but the representation of a matter
wave. A particular system is said to be real if it could be represented by a wave function.
The wave function is represented by the Greek letter and is defined as
(x,y,z,t) = (x,y,z) e-iwt.
Although, it is complex in nature due to the imaginary part, the probability function,
which is given by its square, is real.The probability of finding a particle in a volume dV
is mathematically represented as
dV
If this probability function is equated to the maximum probability of one, i.e., if
dV =1, the function is said to normalized and the existence of the particle is made
sure within the volume dV. The wave function is orthogonal i.e. product of two wave
functions, i (x) and j (x) vanishes integrated in space.
i.e. i ( x) *j ( x) = 0 ,
ij
where j* (x) is a complex conjugate function. This orthogonalityrelation implies that

each particle is unique.
4.2 Schrdingers equation

With the aid of the wave function, Schrdinger proposed a wave equation,
Ervin Schrdinger
which includes the kinetic and potential energy of the system and the position dependent
potential as,
Page 9 of 17
2 +
2m
( E V ) = 0
h2
where m mass of the particle, total energy E and potential energy V. This equation
describes the behavior of any real microscopic system. For a free particle, this equation
can be written as
2 +
2m
( E ) = 0
h2
Where V=0, since a free particle is independent of position.
5 Fermi-Dirac and Bose-Einstein Distributions

5.1 Need for statistics
Schrdingers equation is an important tool to describe a particle along with its
energy and analyze its complete dynamic behaviour. When we extend the size of the
system from one particle to many particles, the Schrdinger equation will be a linear
combination of wave function of all the particles and its solution is a tiresome work. To
overcome this problem we study a system of particles in terms of statistics.
For example if we consider electron cloud in a conductor, all electrons have their
common basic character and difference will be the energy it possess and is classified
based on Paulis principle. They are termed as indistinguishable. Based on the
parameters like charge, spin and so on, the particles are grouped as bosons, fermions and
so on. The two statistics which treats the particles quantum mechanically arei) Bose
Einstein and ii) Maxwell Boltzmann. These will be discussed here briefly.
5.2 Bose Einstein Statistics

While
discussing
the
theory
of
radiation
and
ultraviolet
catastrophe,SatyendraNath Bose observed that, the result does not match with the
contemporary theory (Maxwell Boltzmann statistics). During his lecture at the
University of Dhaka, he unexpectedly made an error and predicted that the probability
of getting head while tossing a coin is one third. This interestingly matched with the
experimental results.
Thus, he emphasized that the Maxwell Boltzmanns theory no longer holds
good for particles at the microscopic level where the quantum effects has to be
considered. His theory was initially not approved by the Physics journals. Then he
communicated his paper to Einstein and got immediate approval from him.
Page 10 of 17
SatyendraNath Bose
Albert Einstein
As a collaborative work with Einstein, he established his statistic under the

banner, Bose-Einstein statistics. They extended this idea to atoms and proposed BoseEinstein condensation.
5.3 Concepts
A system which has particles of identical and indistinguishable in nature is not
restricted by Paulis exclusion principle. These particles are termed as bosons and are
represented by symmetric wave function. The spin of bosons is either zero or one (eg.
Mesons, Helium nuclei etc.,).
Suppose, if a system has n i number of particles arranged in the g i (where g i refers
to the degeneracy of each energy level) quantum states then the total possible ways of
distributing is (n i +g i -1)! Then, the possible number of distinct arrangement is
(ni + g i 1)!
n!( g i 1)!
This could be extended for many number of available energy states and it is summed as
P=
i
(ni + g i 1)!
ni !( g i 1)!
The maximum value of P is obtained by finding its first order differential maxima
i.e., d (ln P)=0
By applying Stirlings approximation and solving we get the expression for the
number of particles occupying the n i state is given as,
Page 11 of 17
ni =
(e
i
( + Ei )
) 1
Where =1/kT
5.4 Inferences
Particles which are indistinguishable do not obey Paulis exclusion principle
There is no upper limit to the number of particles occupying the same

quantum state
At absolute zero, the energy of the particles is zero.
At higher temperature, Bose- Einstein distribution approaches Maxwell

Boltzmann distribution
This statistics is applicable to indistinguishable and symmetrical particles like

photons.
5.5 Fermi Dirac Distribution
Enric Fermi
Paul Adrien Maurice Dirac
Enrico Fermi and Paul Dirac mathematically defined the statistics independently,
even though Fermi proposed it earlier than Dirac.
Fermi-Dirac distribution assumes that, the particles are identical and
indistinguishable yet obeys Paulis exclusion principle. Their spin is half integral which
leads the intrinsic probability of g i to be 2. These particles are said to posses antisymmetry wave function.
Page 12 of 17
Let there be n i number of particles in a system to be placed in E i energy level has

the available degeneracy state is g i . The different ways of arranging the n i particles,
= g i (g i -1) (g i -2) g i -(n i -1) =
gi!
( g i ni )!
i.e., first particle has g i position to occupy, and then second particle has (g i -1) position to
occupy and so on.
Thus by extending it to the more number of energy levels E1, E2, E3 The
maximum probability distribution is
P=
i
g i!
ni ( g i ni )!
The maxima is obtained by taking d(ln P) =0. Also for most probable distribution
ni = total particles in the system and ni Ei = U , the total energy of the system. On
i
solving mathematically the number of particles in the ith state is
ni =
[e
i
( + Ei )
+ 1]
where=1/kT.
The other methods of deriving Fermi Dirac distribution are

1. using canonical distribution
2. using Lagrange multipliers
Points to be noted:
In the classical limits F D and B- E statistics reduce to M B statistics.
Though the inter-molecular forces are neglected, the individual particles are
not independent as it requires symmetry wave function.
The quantum statistics are applicable to systems like metals, liquid helium
etc.,
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6 Solved problems
1. A bird of mass 250 g flies with a velocity of 75 m/sec for a direction of 10 min.
Calculate the de Broglie wavelength associated with the bird. Reason out why the
bird does not explicitly show the wave nature.
Answer:
The de Broglie wavelength is given by,
h
=
mv
6.62 x 10 34
(250 x 10 3 x 75)
= 3.53 x 10 35 m
Reason:
The length of the wave is much smaller than the dimensions of the bird. Hence
it wave nature is not explicit.
2. Given that the mass of the neutron as 1.674 x 10-27 kg of the Plancks constant
h=6.60 x 10-34 J sec. Calculate the de Broglie wavelength for the same of energy
20 eV.
Answer:
The de Broglie wavelength in terms of energy is given by,
=
=
h
=
mv
h
2mE
E = 20eV = 20 x 1.6 x 10 19 J
6.62 x 10 34
(2 x 1.67 x 10 27 x 20 x 1.6 x 10 19 )
= 6.19 x 10 12 m
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3. Calculate the wavelength of thermal neutrons at 21C with the Energy = kT.
Answer:
The de Broglie wavelength is
h
=
mv
2mE
2mkT
34
h = 6.62 x 10 J . sec
; where E = kT
m = 1.67 x 10 27 kg
k = 1.38 x 10 23 J
K
T = 27 C = (273 + 21) = 294 K
6.62 x 10 34
(2 x 1.67 x 10 27 x 1.38 x 10 23 x 294)
= 1.7 A
4. Calculate the momentum of an e- possessing de Broglie wavelength6.6x10-11m.
Answer:
The de Broglie wavelength
h
=
p
(or )
p=
6.62 x 10 34
6.6 x 10 11
= 1 x 10 23 kg.m sec
5. A bullet of mass 18 gm takes 1 sec to reach its target board. Find the probability
of missing the target. Consider that the shots are fired accurately.
Answer:
According to uncertainty principle,
Page 15 of 17
E. t = ; E energy, t time
& y.p = ; y position, p momentum
also momentum = p = 2m(E )

Therefore
Uncertainity in position y =
=
p
2m(E )
2 m( t )
t
=
2m
ht
4m
Given that t = 1sec , m = 18 gm , h = 6.625 x 10 27

The chance of mis sin g is =
6.625 x 10 27
= 5.41 x 10 15 m
4 (3.14 x 18)
6. If suppose a proton move as a speed of 2x106 m/s and if we could measure its
speed with an accuracy of 60%. What is the uncertainty in determining the
position of the same?
Answer:
The momentum of the proton p = mv

= mass of proton * speed
= 1.6276 x 10 27 x 2 x 106
= 3.3452 x 10 21 kg. m s
The uncertainity in det er min ing its speed
60
60
p = p x
= 3.3452 x 10 21 x
= 2.00712 x 10 21
100
100
By Heisenberg ' s priniciple the min imum uncerta int y is det er min ing its position is,
6.623 x 10 34
x =
=
= 0.5259 x 10 13 m
21
Px 2 x 2.00712 x 10
Page 16 of 17
7 References
1. Richard Liboff, Introductory Quantum Mechanics, 4th edition, Addison Wesley,
2002.
2. David J Griffith, Introduction to Quantum Mechanics, 2nd edition, Benjamin
Cummings, 2004.
3. EliahuZaarur, PhinikReuven, Schaum's Outline of Quantum Mechanics,
McGraw-Hill, 1998.
4. Stephen Gasiorowicz, Quantum Physics, 3rd edition, Wiley Publishing, 2003.
Page 17 of 17

Wave Particle Duality and Heisenberg Principle, Schrodinger Wave Equation, Fermi-Dirac and Bose-Einstein Distributions

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