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Session 2 - Quantum Mechanics

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22 views26 pages

Session 2 - Quantum Mechanics

Uploaded by

Talha Gee
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© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Quantum Mechanics

Chapter 2
Quantum Vs Classical Physics
• Scale of Application (Upto smaller particle of atomic size, quantum
mechanics: No newton laws of motion)
• Discrete Vs Continuous energy relations
• Probabilistic Vs Deterministic Models
• Classical mechanics deals with matter and energy (radiations/waves)
separately whereas quantum mechanics describes matter and energy
as single phenomena.
Black body radiations and discontinuous
spectrum
• It started with observation of radiations from pure materials when
energized. Observed spectrum (intensity of radiations Vs wavelength) was
discontinuous. There were no intensity at certain wavelength. It was a
surprising observation.
• Line spectrum of hydrogen : When excited, hydrogen gas gives off light in
four distinct colors (spectral lines) in the visible spectrum, as well as a
number of lines in the infrared and ultraviolet.

• There is a series of scientific contributions to explain the emission


behaviors at atomic level. This is beginning of quantum mechanics. First in
this list is Max Planck
Heating a material – generating a Discrete
Spectrum
• Classical Method
More incident energy more heat generation and more photoelectrons
emission. No relation to frequency of incident radiation
Its Not observed experimentally
• Quantum Mechanics
Constant incident energy with varying
frequency generate different emissions
𝐸 = ℎ𝑣
• Emission of energy in form of ‘packets
Of energy’ quantas / photons
Bohar Atomic Model
 Building on Max Planck work, Bohar postulated theoretical model for
hydrogen atom. He defined that electron can be in certain orbits and having
discrete values of angular momentum.
 His work described good fit for hydrogen but could not be extended to other
atoms hence only regarded as intermediate work in defining atomic
phenomenon
Wave Particle Duality
 In 1925 De Broglie hypothesized that electromagnetic radiations are
considered as packets of energy hence treated as particles, similarly electrons
(particle) with a given momentum , p, can be characterized in terms of
wavelength as where is wavelength of electromagnetic radiation.
So a particle can be described as Wave
Wave particle Duality
• Electrons as wave

• Double slit experiment


• waves as particle

• Deflection of x rays

• So wave has the momentum


ℎ
•𝑃=
λ
Principle of Uncertainty – Heisenberg 1927
• The absolute accuracy of position and momentum of the particle are not measureable at same time

• It is impossible to accurately measure the energy and exact time when this particle has this energy
Schrodinger Equations
• Based on planck’s observation as discrete energy levels from atomic spectra
and De-Broglie theory for wave particle duality, schrodinger postulated for
wave particle duality. His equations describe fundamentals of quantum
mechanics.
• Crystalline materials are constituents of atoms and electrons around their
nucleus. This whole form of matter form a system. One electron in this
whole setup is one of basic particles. Hence focusing on one particle can be
describes as single particle system.

 He defined a wave function which describe particle (electron) in space and time and
encapsulate all of its physical behaviors (energy , momentum ).

 This wave functions in fact describes probability of position of an electron some where in atom at some specific time
Schrodinger Equations
 There exists a wave function which describe the complete
behavior (location energy, momentum etc) of a particle. This is foundation of
modern quantum physics where particle is represented by a wave function
 Wave function can be determined from solution of Time dependent Schrodinger
Equation.

 Here V (r) is the potential energy of the system. If we are considering the electron in a crystal, this
should be considered as potential in a crystal at some point ‘r’.
 These potentials can also be due to main atom nucleus and / or neighbors in lattice structure.
 In essence of quantum mechanics, this wave function for a particle leads to probability derivation
which says that “ probability of finding / locating a particle over entire space is unity”. Hence it is
said that wave function don’t determine the position of particle but it determines the probability of
finding a particle as some point. So whole quantum mechanics is a probabilistic model as compared
to deterministic model of classical mechanics
Schrodinger equation
 To Study electron in a given system of crystal (three dimensional material) for its energy
states, Time In-dependent Schrodinger equation is used

• For Time Independent Schrodinger equation, is a function of only


space (r: x,y,z coordinates in solid). No time variable is present.
 it Appears “E” energy in above time independent equation. It can be
stated that this equation can be solved to find wave function of particle
with certain energy E and in an environment of potential V(r). So for
different energies, we can have different wave functions.
• This time-independent Schrodinger equation is the basis for solving the
one-electron energy band theory and related problems in crystalline
materials.
Bloch Wave
• a Bloch wave (also called Bloch State; Bloch Function or Bloch Wave Function), is
a type of wave function for a particle in a periodically-repeating environment, for
example electrons moving in a semiconductor such as silicon (whose atoms form
a crystal lattice). The application of Bloch’s theorem helps explain the formation
of valence band and conduction band in a semi-conductor. A Bloch wave
description also applies to any wave-like phenomenon in a periodic medium such
as photonic crystals and diffraction.

• ** Time Independent Schrodinger equation formulate a wave function for a


particle in materials. It is generic formulation for crystalline / a crystalline
materials. The formulation of Schrodinger equation has been extended for
materials with periodic patterns of potentials (as in crystalline solids and hence
semi conductors) by bloch wave / bloch function and postulated in bloch
theorem.
Bloch Theorem
• Bloch Theorem deals with formulation of wave function in periodic
potentials. Hence most relevant for study of electronic behaviors in
crystalline semi conductors.
 Here we are using the word of “periodic potential” as periodic placement
of atoms in crystal solids create a potential force on charged particle,
electron in this study.
 This theorem states that general for of solution of time independent schrodinger
solution in crystalline solids with periodic potential is

Here is Bloch Function having spatial periodicity of crystal and K is the wave
vector of electron
 It is observed after algebraic processing that Bloch function has same periodicity as crystal
potential.
Bloch Theorem
• So we can state the Bloch theorem as
• “ electron wave function in a periodic crystal lattice is a plane
wave modulated by bloch function ”
• Bloch function can be written in the form
 Bloch Function shape is dependent on energy of Electron Ek and
periodic crystal potential V(r) hence will be used for Energy Ek Vs K
relation ships (Energy band diagrams)
The Wave Equation
Applications of wave Equation
• Electron is moving in free space (no applied potential)
Assuming V(x)=0 for time independent Schrodinger’s Wave equation

Result: Particle in free space is moving like a wave


Result: A particle (free electron) having a well defined energy, must have a defined wavelength and momentum
Potential well

- Particle is assumed to exist in


Region II (bounded by infinite potential
Walls (no wave function exists in region 1 and 3)

Time Independent wave equation in region II becomes

Final Solution

A solution of this equation (2.28) is Bounded particle in well is represented by


Applying boundary condition for potential Well x=0, we must A standing wave
assume A1 =0 to ensure a reasonable value at boundary

This is only valid for


Step Potential
In region 2: there is a potential Vo so solution of
In Region 1: Potential is zero Equation is

So time- independent
equation is

Result: there exists a probability that particle


Move to region II.

Although probability is small

- Like a ball hitting the wall can penetrate


Solution is of type travelling wave - Quantum tunnel
- Incident + reflected wave
Quantum Tunneling

Balling passing the other side of the wall

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