# Posts Tagged ‘density of states’

Posted by peeterjoot on January 20, 2014

Here is what will likely be the final update of my class notes from Winter 2013, University of Toronto Condensed Matter Physics course (PHY487H1F), taught by Prof. Stephen Julian.

Official course description: “Introduction to the concepts used in the modern treatment of solids. The student is assumed to be familiar with elementary quantum mechanics. Topics include: bonding in solids, crystal structures, lattice vibrations, free electron model of metals, band structure, thermal properties, magnetism and superconductivity (time permitting)”

This document contains:

• Plain old lecture notes. These mirror what was covered in class, possibly augmented with additional details.

• Personal notes exploring details that were not clear to me from the lectures, or from the texts associated with the lecture material.

• Assigned problems. Like anything else take these as is.

• Some worked problems attempted as course prep, for fun, or for test preparation, or post test reflection.

• Links to Mathematica workbooks associated with this course.

My thanks go to Professor Julian for teaching this course.

NOTE: This v.5 update of these notes is still really big (~18M). Some of my mathematica generated 3D images result in very large pdfs.

Changelog for this update (relative to the first, and second, and third, and the last pre-exam Changelogs).

January 19, 2014 Quadratic Deybe

January 19, 2014 One atom basis phonons in 2D

January 07, 2014 Two body harmonic oscillator in 3D

Figure out a general solution for two interacting harmonic oscillators, then use the result to calculate the matrix required for a 2D two atom diamond lattice with horizontal, vertical and diagonal nearest neighbour coupling.

December 04, 2013 Lecture 24: Superconductivity (cont.)

December 04, 2013 Problem Set 10: Drude conductivity and doped semiconductors.

Posted in Math and Physics Learning. | Tagged: 1 atom basis, acoustic dispersion, alkali earth metals, alkali metal, anharmonic oscillator, atomic scattering factor, band Structure, BCC, BCS theory, Bloch’s theorem, Body centered cubic, Boltzman distribution, Boltzmann-Gibbs distribution, Bose distribution, Bragg condition, Bravais, Bravais lattice, Brillouin zones, chemical bonding, conduction band, conventional unit cell, Cooper pairing, covalent bonding, crystal structure, crystal structures, Debye frequency, Debye model, Debye temperature, density of states, Deybe model, Diamond lattice, diffraction, Dirac delta function, Discrete Fourier transform, doped semiconductors, Drude formula for conductivity, Dulong-Petit law, dynamical matrix, effective mass, effective mass tensor, elastic scattering, electric current, electrical transport, electron pockets, electron-phonon interaction, entropy, Ewald sphere, Face centered cubic, FCC, Fermi energy, Fermi liquid theory, Fermi surface, Fermi velocity, Fermi wavevector, Fermi-Dirac distribution, filling factor, Fourier coefficient, fourier series, free electron, free electron gas, free electron model, freeze out, Fresnel diffraction, Germanium, group velocity, HCP, Heaviside function, hexagonal close packed, hole, hole pockets, holes, Huygens principle, Huygens-Fresnel principle, hybridization, insulator, interference, ionic bonding, isotropic model, jellium model, lattice plane, lattice structure, Laue condition, linear harmonic chain, London equations, Madelung constant, mean scattering time, melting point, metal, metallic bond, metallic bonding, Miller indices, nearly free electron, nearly free electron model, nn, noble gas, normal mode, normal modes, one atom basis, optical dispersion, perfect conductors, perfect diamagnet, periodic harmonic oscillator, periodic lattice, periodic table, periodicity, phonon, phonon mode, Phonons, promotion, reciprocal lattice, reciprocal vectors, reduced zone scheme, scattering, scattering density, semiconductors, Simple cubic, specific heat, structure factor, superconductivity, thermal energy, Thomas-Fermi screening, tight binding model, transition metal, transition metals, valence band, valence conduction, Van der Waals, van Hove singularity, wedge product | Leave a Comment »

Posted by peeterjoot on January 19, 2014

[Click here for a PDF of this post with nicer formatting]

## Question: Quadratic Debye phonons (2013 midterm pr B2)

Assume a quadratic dispersion relation for the longitudinal and transverse modes

### Part a

Find the density of states.

### Part b

Find the Debye frequency.

### Part c

In terms of , and

find the specific heat for .

### Part d

Find the specific heat for .

## Answer

### Part a

Working straight from the definition

With and , this is

### Part b

The Debye frequency was given implicitly by

which gives

### Part c

Assuming a Bose distribution and ignoring the zero point energy, which has no temperature dependence, the specific heat, the temperature derivative of the energy density, is

### Part d

First note that the density of states can be written

for a specific heat of

Posted in Math and Physics Learning. | Tagged: Condensed matter physics, Debye frequency, Debye temperature, density of states, phonon, phy487h1f | Leave a Comment »

Posted by peeterjoot on December 2, 2013

Here’s an update of my class notes from Winter 2013, University of Toronto Condensed Matter Physics course (PHY487H1F), taught by Prof. Stephen Julian. This includes notes for all the examinable lectures (i.e. excluding superconductivity). I’ll post at least one more update later, probably after the exam, including notes from the final lecture, and my problem set 10 solution.

NOTE: This v.4 update of these notes is still really big (~18M). Some of my mathematica generated 3d images appear to result in very large pdfs.

Changelog for this update (relative to the the first, and second, and third Changelogs) :

December 02, 2013 Lecture 23, Superconductivity

December 01, 2013 Lecture 22, Intro to semiconductor physics

December 01, 2013 Lecture 21, Electron-phonon scattering

November 26, 2013 Problem Set 9, Electron band structure, density of states, and effective mass

November 22, 2013 Lecture 20, Electric current (cont.)

November 20, 2013 Problem Set 8, Tight Binding.

November 18, 2013 Lecture 19, Electrical transport (cont.)

Posted in Math and Physics Learning. | Tagged: band Structure, Cooper pair, density of states, diamagnet, doped semiconductors, Drude formula, effective mass, effective mass tensor, electric current, electrical transport, electron-electron scattering, electron-phonon scattering, Fermi liquid theory, Fermi surface, Fermi velocity, group velocity, insulator, London equations, mean scattering time, perfect conductors, semiconductors, superconductivity, tight Binding | 1 Comment »

Posted by peeterjoot on October 21, 2013

Here’s an update of my (incomplete) lecture notes for the Winter 2013, University of Toronto Condensed Matter Physics course (PHY487H1F), taught by Prof. Stephen Julian. This makes updates to these notes since the first version posted.

NOTE: This v.2 update of these notes is really big (~18M), despite being only half way into the course. My mathematica generated images appear to result in very large pdfs, and I’m looking at trying pdfsizeopt to reduce the size before posting the next update (or take out the density plots from my problem set 1 solutions).

This set of notes includes the following these additions (not many of which were posted separately for this course)

October 21, 2013 Free electron model (cont.)

October 20, 2013 Anharmonic oscillator

October 20, 2013 Exponential solutions to second order linear system

October 18, 2013 Free electron model of metals

October 17, 2013 Density of states and Deybe temperature

October 11, 2013 Discrete Fourier transform

October 11, 2013 Thermal properties

October 11, 2013 Diffraction and phonons

October 07, 2013 Thermal properties

October 04, 2013 Phonons (cont.)

October 04, 2013 Reciprocal lattice and Ewald construction

October 01, 2013 Structure factor

September 27, 2013 Diffraction

September 26, 2013 Bonding and lattices

September 23, 2013 General theory of diffraction

September 21, 2013 Crystal structures

September 19, 2013 Orbitals, bonding and lattice calculations

September 16, 2013 Bonding and lattice structure

September 16, 2013 Bonding and lattice structures

September 09, 2013 Course overview

Posted in Math and Physics Learning. | Tagged: 1 atom basis, acoustic dispersion, alkali metal, atomic scattering factor, BCC, Body centered cubic, Boltzman distribution, Boltzmann-Gibbs distribution, Bose distribution, Bragg condition, Bravais, conventional unit cell, Debye frequency, Debye model, Debye temperature, density of states, Diamond lattice, Discrete Fourier transform, Dulong-Petit law, dynamical matrix, elastic scattering, entropy, Face centered cubic, FCC, Fermi-Dirac distribution, filling factor, HCP, hexagonal close packed, hybridization, isotropic model, jellium model, Laue condition, Madelung constant, melting point, metallic bond, Miller indices, nn, noble gas, normal mode, optical dispersion, periodic harmonic oscillator, periodic table, phonon mode, promotion, reciprocal vectors, Simple cubic, specific heat, structure factor, transition metal, Van der Waals, wedge product | 3 Comments »

Posted by peeterjoot on September 5, 2013

I’d intended to rework the exam problems over the summer and make that the last update to my stat mech notes. However, I ended up studying world events and some other non-mainstream ideas intensively over the summer, and never got around to that final update.

Since I’m starting a new course (condensed matter) soon, I’ll end up having to focus on that, and have now posted a final version of my notes as is.

Since the last update the following additions were made

September 05, 2013 Large volume fermi gas density

May 30, 2013 Bernoulli polynomials and numbers and Euler-MacLauren summation

May 09, 2013 Bose gas specific heat above condensation temperature

May 09, 2013 A dumb expansion of the Fermi-Dirac grand partition function

April 30, 2013 Ultra relativistic spin zero condensation temperature

April 30, 2013 Summary of statistical mechanics relations and helpful formulas

April 24, 2013 Low temperature Fermi gas chemical potential

Posted in Math and Physics Learning. | Tagged: average, Bernoulli number, Bernoulli polynomial, binomial distribution, Bose condensate, Bose gas, Bosons, canonical ensemble, Central limit theorem, cheat sheet, chemical potential, classical limit, density of states, ergodic, Euler-MacLauren summation, Fermi energy, Fermi gas, Fermi-Dirac, Fermions, fugacity, Generating function, grand canonical ensemble, grand canonical partition function, ground state, Hamilton's equations, Handy mathematics, ideal gas, large volume, Liouville's theorem, low temperature, Maxwell distribution, Microstates, number density, PHY452H1S, Quantum free particle in a box, Radius of gyration of a 3D polymer, random walk, specific heat, spin, statistical mechanics, statistics, Statistics mechanics, surface with binding sites, thermodynamics, ultra relativistic gas, Velocity, zeta function | Leave a Comment »

Posted by peeterjoot on April 29, 2013

[Click here for a PDF of this post with nicer formatting (especially if my latex to wordpress script has left FORMULA DOES NOT PARSE errors.)]

**Central limit theorem**

If and , and , then in the limit

**Binomial distribution**

where was something like number of Heads minus number of Tails.

**Generating function**

Given the Fourier transform of a probability distribution we have

**Handy mathematics**

Heavyside theta

volume in mD

area of ellipse

**Radius of gyration of a 3D polymer**

With radius , we have

**Velocity random walk**

Find

**Random walk**

1D Random walk

leads to

The diffusion constant relation to the probability current is referred to as Fick’s law

with which we can cast the probability diffusion identity into a continuity equation form

In 3D (with the Maxwell distribution frictional term), this takes the form

**Maxwell distribution**

Add a frictional term to the velocity space diffusion current

For steady state the continity equation leads to

We also find

and identify

**Hamilton’s equations**

SHO

Quantum energy eigenvalues

**Liouville’s theorem**

Regardless of whether we have a steady state system, if we sit on a region of phase space volume, the probability density in that neighbourhood will be constant.

**Ergodic**

A system for which all accessible phase space is swept out by the trajectories. This and Liouville’s threorm allows us to assume that we can treat any given small phase space volume as if it is equally probable to the same time evolved phase space region, and switch to ensemble averaging instead of time averaging.

**Thermodynamics**

Example (work on gas): . Adiabatic: . Cyclic: .

**Microstates**

quantum

**Ideal gas**

**Quantum free particle in a box**

**Spin**

magnetization

moment per particle

spin matrices

spin addition

**Canonical ensemble**

classical

quantum

**Grand Canonical ensemble**

**Fermions**

(so for large temperatures)

**Bosons**

For , .

BEC

**Density of states**

Low velocities

relativistic

Posted in Math and Physics Learning. | Tagged: binomial distribution, Bosons, canonical ensemble, Central limit theorem, cheat sheet, density of states, ergodic, Fermions, Generating function, grand canonical ensemble, Hamilton's equations, Handy mathematics, ideal gas, Liouville's theorem, Maxwell distribution, Microstates, PHY452H1S, Quantum free particle in a box, Radius of gyration of a 3D polymer, random walk, spin, statistical mechanics, thermodynamics, Velocity random walk | Leave a Comment »

Posted by peeterjoot on April 22, 2013

Here’s my third update of my notes compilation for this course, including all of the following:

April 21, 2013 Fermi function expansion for thermodynamic quantities

April 20, 2013 Relativistic Fermi Gas

April 10, 2013 Non integral binomial coefficient

April 10, 2013 energy distribution around mean energy

April 09, 2013 Velocity volume element to momentum volume element

April 04, 2013 Phonon modes

April 03, 2013 BEC and phonons

April 03, 2013 Max entropy, fugacity, and Fermi gas

April 02, 2013 Bosons

April 02, 2013 Relativisitic density of states

March 28, 2013 Bosons

plus everything detailed in the description of my previous update and before.

Posted in Math and Physics Learning. | Tagged: average energy, average energy density, average number of particles, average occupancy, BEC temperature, binomial coefficient, binomial series, Boltzmann factor, Bose condensate, Bose condensation, Bose-Einstein condensate, Boson, canonical ensemble, chemical potential, configurations, constraint, delta function, density, density of states, distribution function, energy, energy density, ensemble, entropy, extreme relativistic gas, factorial, Fermi energy, Fermi gas, Fermi-Dirac function, Fermion, fugacity, Gamma function, Gibbs entropy, grand canonical ensemble, harmonic oscillator, Helium-4, jacobian, Lagrange multiplier, mean energy, microstate, momentum, momentum space volume element, neutrino gas, neutron star, nucleon, number density, occupation number, phonon, phonon modes, photon, photon gas, PHY452H1S, Polarization, pressure, probability, relativistic, relativistic gas, special relativity, specific heat, spherical coordinates, statistical mechanics, Taylor expansion, temperature, velocity space volume element, volume, zeta function | 1 Comment »

Posted by peeterjoot on April 21, 2013

[Click here for a PDF of this post with nicer formatting (especially if my latex to wordpress script has left FORMULA DOES NOT PARSE errors.)]

In section 8.1 of [1] are some Fermi-Dirac \index{Fermi-Dirac function} expansions for , , and . Let’s work through these in detail.

Our starting point is the relations

**Recap. Density of states**

We’ll employ the 3D non-relativisitic density of states

or

**Density**

Now let’s make our integral approximation of the sum for . That is

or

With

this gives us the desired density result from the text

**Pressure**

For the pressure, we can do the same, but have to integrate by parts

or

**Energy**

The average energy is the last thermodynamic quantity to come very easily. We have

From eq. 1.0.7, we have

so the energy takes the form

We can compare this to the ratio of pressure to density

to find

or

# References

[1] RK Pathria. *Statistical mechanics*. Butterworth Heinemann, Oxford, UK, 1996.

Posted in Math and Physics Learning. | Tagged: average occupancy, density of states, energy, Fermi-Dirac function, Fermion, number density, PHY452H1S, pressure, Statistics mechanics, volume | Leave a Comment »

Posted by peeterjoot on April 10, 2013

[Click here for a PDF of this post with nicer formatting (especially if my latex to wordpress script has left FORMULA DOES NOT PARSE errors.)]

# Disclaimer

This is an ungraded set of answers to the problems posed.

## Question: Bose-Einstein condensation (BEC) in one and two dimensions

Obtain the density of states in one and two dimensions for a particle with an energy-momentum relation

Using this, show that for particles whose number is conserved the BEC transition temperature vanishes in these cases – so we can always pick a chemical potential which preserves a constant density at any temperature.

## Answer

We’d like to evaluate

We’ll use

where the roots of are . With

the roots of are

The derivative of evaluated at these roots are

In 2D, we can evaluate over a shell in space

or

In 1D we have

Observe that this time for 1D, unlike in 2D when we used a radial shell in space, we have contributions from both the delta function roots. Our end result is

To consider the question of the BEC temperature, we’ll need to calculate the density. For the 2D case we have

Recall for the 3D case that we had an upper bound as . We don’t have that for this 2D density, so for any value of , a corresponding value of can be found. That is

For the 1D case we have

or

See fig. 1.1 for plots of for , the respective results for the 1D, 2D and 3D densities respectively.

Fig 1.1: Density integrals for 1D, 2D and 3D cases

We’ve found that is also unbounded as , so while we cannot invert this easily as in the 2D case, we can at least say that there will be some for any value of that allows the density (and thus the number of particles) to remain fixed.

## Question: Estimating the BEC transition temperature

Find data for the atomic mass of liquid He and its density at ambient atmospheric pressure and hence estimate its BEC temperature assuming interactions are unimportant (even though this assumption is a very bad one!).

For dilute atomic gases of the sort used in Professor

Thywissen’s lab

, one typically has a cloud of atoms confined to an approximate cubic region with linear dimension 1 . Find the density – it is pretty low, so interactions can be assumed to be extremely weak. Assuming these are Rb atoms, estimate the BEC transition temperature.

## Answer

With an atomic weight of 4.0026, the mass in grams for one atom of Helium is

With the density of liquid He-4, at 5.2K (boiling point): 125 grams per liter, the number density is

In class the was found to be

So for liquid helium we have

The number density for the gas in Thywissen’s lab is

The mass of an atom of Rb is

which gives us

## Question: Phonons in two dimensions

Consider phonons (quanta of lattice vibrations) which obey a dispersion relation

for small momenta , where is the speed of sound. Assuming a two-dimensional crystal, phonons only propagate along the plane containing the atoms. Find the specific heat of this crystal due to phonons at low temperature. Recall that phonons are not conserved, so there is no chemical potential associated with maintaining a fixed phonon density.

The energy density of the system is

For the density of states we have

Plugging back into the energy density we have

where . Taking derivatives we have

Posted in Math and Physics Learning. | Tagged: BEC temperature, Bose-Einstein condensate, delta function, density of states, phonon, PHY452H1S, specific heat, Statistics mechanics | Leave a Comment »

Posted by peeterjoot on April 2, 2013

[Click here for a PDF of this post with nicer formatting (especially if my latex to wordpress script has left FORMULA DOES NOT PARSE errors.)]

# Disclaimer

Peeter’s lecture notes from class. May not be entirely coherent.

# Bosons

In order to maintain a conservation of particles in a Bose condensate as we decrease temperature, we are forced to change the chemical potential to compensate. This is illustrated in fig. 1.1.

Fig 1.1: Chemical potential in Bose condensation region

Bose condensatation occurs for . At this point our number density becomes (except at )

Except for , is well defined, and not described by this distribution. We are forced to say that

Introducing the density of states, our density is

where

We worked out last time that

or

This is plotted in fig. 1.2.

Fig 1.2: Density variation with temperature for Bosons

For , we have . This condensation temperature is

This is plotted in fig. 1.3.

Fig 1.3: Temperature vs pressure demarkation by T_BEC curve

There is a line for each density that marks the boundary temperature for which we have or do not have this condensation phenomina where states start filling up.

**Specific heat: **

so that

Compare this to the classical and Fermionic specific heat as plotted in fig. 1.4.

Fig 1.4: Specific heat for Bosons, Fermions, and classical ideal gases

One can measure the specific heat in this Bose condensation phenomina for materials such as Helium-4 (spin 0). However, it turns out that Helium-4 is actually quite far from an ideal Bose gas.

**Photon gas**

A system that is much closer to an ideal Bose gas is that of a gas of photons. To a large extent, photons do not interact with each other. This allows us to calculate black body phenomina and the low temperature (cosmic) background radiation in the universe.

An important distinction between a photon sea and some of these other systems is that the photon number is actually not fixed.

Photon numbers are not “conserved”.

If a photon interacts with an atom, it can impart energy and disappear. An excited atom can emit a photon and change its energy level. In a thermodynamic system we can generally expect that introducing heat will generate more photons, whereas a cold sink will tend to generate fewer photons.

We have a few special details that distinguish photons that we’ll have to consider.

- spin 1.
- massless, moving at the speed of light.
- have two polarization states.

Because we do not have a constraint on the number of particles, we essentially have no chemical potential, even in the grand canonical scheme.

Writing

Our number density, since we have no chemical potential, is of the form

Observe that the average number of photons in this system is temperature dependent. Because this chemical potential is not there, it can be quite easy to work out a number of the thermodynamic results.

**Photon average energy density**

We’ll now calculate the average energy density of the photons. The energy of a single photon is

so that the average energy density is

Mathematica tells us that this integral is

for an end result of

**Phonons and other systems**

There is a very similar phenomina in matter. We can discuss lattice vibrations in a solid. These are called phonon modes, and will have the same distribution function where the only difference is that the speed of light is replaced by the speed of the sound wave in the solid. Once we understand the photon system, we are able to look at other Bose distributions such as these phonon systems. We’ll touch on this very briefly next time.

Posted in Math and Physics Learning. | Tagged: average energy density, Bose condensation, chemical potential, density of states, energy density, Helium-4, phonon, photon gas, PHY452H1S, Polarization, specific heat, statistical mechanics | Leave a Comment »