In-class exercises. Day 1

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1 Physics 4488/6562: Statistical Mechanics Material for Week 8 Exercises due Mon March 19 Last correction at March 5, 2018, 8:48 am c 2017, James Sethna, all rights reserved Pre-class Preparation All exercises are from Version 2.0 of the text: sethna/ StatMech/v2EntropyOrderParametersComplexity.pdf Wednesday Read: Chapter 7, Sec. 7.6 (Black body radiation and Bose condensation), and Sec. (7.7) (Metals and the Fermi gas). Pre-class question: 7.21: Universe of light baryons (Submit electronically by 9:30 Tuesday evening.) Friday Read: Chapter 8, Sec. (8.1) (The Ising model). Pre-class question: 8.16: Solving the Ising model with parallel updates. (Submit electronically by 9:30 Thursday evening.) On Friday, please bring an electronic device (laptop, tablet, cellphone) to class. Monday Read: Chapter 8, Sec. (8.2) (Markov Chains) Pre-class question: 8.3: Coin flips and Markov. (Submit electronically by 9:30 Sunday evening.) On Monday, please bring an electronic device (laptop, tablet, cellphone) to class. Exercises Those in 4488 may choose two of the five exercises. 7.9: Bosons are gregarious: superfluids and lasers. 7.15: The photon-dominated Universe. 7.16: White dwarfs, neutron stars, and black holes. 8.2: Ising fluctuations and susceptibilities. Class choose one 7.8: Einstein s A and B. 7.14: Bose condensation: the experiment.

2 In-class exercises Day Phonons and photons are bosons. (Quantum) i Phonons and photons are the elementary, harmonic excitations of the elastic and electromagnetic fields. We have seen in Exercise 7.11 that phonons are decoupled harmonic oscillators, with a distribution of frequencies ω. A similar analysis shows that the Hamiltonian of the electromagnetic field can be decomposed into harmonic normal modes called photons. This exercise will explain why we think of phonons and photons as particles, instead of excitations of harmonic modes. (a) Show that the canonical partition function for a quantum harmonic oscillator of frequency ω is the same as the grand canonical partition function for bosons multiply filling a single state with energy ω, with µ = 0 (apart from a shift in the arbitrary zero of the total energy of the system). The Boltzmann filling of a harmonic oscillator is therefore the same as the Bose Einstein filling of bosons into a single quantum state, except for an extra shift in the energy of ω/2. This extra shift is called the zero-point energy. The excitations within the harmonic oscillator are thus often considered as particles with Bose statistics: the nth excitation is n bosons occupying the oscillator s quantum state. This particle analogy becomes even more compelling for systems like phonons and photons where there are many harmonic oscillator states labeled by a wavevector k (see Exercise 7.11). Real, massive Bose particles like He 4 in free space have singleparticle quantum eigenstates with a dispersion relation 1 ε k = 2 k 2 /2m. Phonons and photons have one harmonic oscillator for every k, with an excitation energy ε k = ω k. If we treat them, as in part (a), as bosons filling these as single-particle states we find that they are completely analogous to ordinary massive particles. (Photons even have the dispersion relation of a massless boson. If we take the mass to zero of a relativistic particle, ε = m 2 c 4 p 2 c 2 p c = c k.) (b) Do phonons or photons Bose condense at low temperatures? Can you see why not? Can you think of a non-equilibrium Bose condensation of photons, where a macroscopic occupation of a single frequency and momentum state occurs? Day 1 1 The dispersion relation is the relationship between energy and wavevector, here ε k.

3 7.12 Semiconductors. (Quantum, Condensed matter) 3 Let us consider a caricature model of a doped semiconductor [?, chapter 28]. Consider a crystal of phosphorous-doped silicon, with N M atoms of silicon and M atoms of phosphorous. Each silicon atom contributes one electron to the system, and has two states at energies ± /2, where = 1.16 ev is the energy gap. Each phosphorous atom contributes two electrons and two states, one at /2 and the other at /2 ɛ, where ɛ = ev is much smaller than the gap. 2 (Our model ignores the quantum mechanical hopping between atoms that broadens the levels at ± /2 into the conduction band and the valence band. It also ignores spin and chemistry; each silicon really contributes four electrons and four levels, and each phosphorous five electrons and four levels.) To summarize, our system has N + M spinless electrons (maximum of one electron per state), N valence band states at energy /2, M impurity band states at energy /2 ɛ, and N M conduction band states at energy /2. (a) Derive a formula for the number of electrons as a function of temperature T and chemical potential µ for the energy levels of our system. (b) What is the limiting occupation probability for the states as T, where entropy is maximized and all states are equally likely? Using this, find a formula for µ(t ) valid at large T, not involving or ɛ. (c) Draw an energy level diagram showing the filled and empty states at T = 0. Find a formula for µ(t ) in the low-temperature limit T 0, not involving the variable T. (Hint: Balance the number of holes in the impurity band with the number of electrons in the conduction band. Why can you ignore the valence band?) (d) In a one centimeter cubed sample, there are M = phosphorous atoms; silicon has about N = atoms per cubic centimeter. Find µ at room temperature (1/40 ev) from the formula you derived in part (a). (Probably trying various µ is easiest; set up a program on your calculator or computer.) At this temperature, what fraction of the phosphorous atoms are ionized (have their upper energy state empty)? What is the density of holes (empty states at energy /2)? Phosphorous is an electron donor, and our sample is doped n-type, since the dominant carriers are electrons; p-type semiconductors are doped with holes. Day Is sound a quasiparticle? (Condensed matter) p Sound waves in the harmonic approximation are non-interacting a general solution is given by a linear combination of the individual frequency modes. Landau s Fermi 2 The phosphorous atom is neutral when both of its states are filled; the upper state can be thought of as an electron bound to a phosphorous positive ion. The energy shift ɛ represents the Coulomb attraction of the electron to the phosphorous ion; it is small because the dielectric constant is large semiconductor [?, chapter 28].

4 liquid theory (footnote (23), page 144) describes how the non-interacting electron approximation can be effective even though electrons are strongly coupled to one another. The quasiparticles are electrons with a screening cloud; they develop long lifetimes near the Fermi energy; they are described as poles of Greens functions. (a) Do phonons have lifetimes? Do their lifetimes get long as the frequency goes to zero? (Look up ultrasonic attenuation and Goldstone s theorem.) (See Section 9.3 and Exer- (b) Are they described as poles of a Green s function? cise 10.9.) (c) Can you think of an analogy to a screening cloud? 8.1 The Ising model. 3 (Computation) i Day 3 You will need a two-dimensional square-lattice Ising model simulation. The Ising Hamiltonian is (eqn 8.1): H = J ij S i S j H i S i, (1) where S i = ±1 are spins on a square lattice, and the sum ij is over the four nearestneighbor bonds (each pair summed once). It is conventional to set the coupling strength J = 1 and Boltzmann s constant k B = 1, which amounts to measuring energies and temperatures in units of J. The constant H is called the external field, and M = i S i is called the magnetization. Our simulation does not conserve the number of spins up, so it is not a natural simulation for a binary alloy. You can think of it as a grand canonical ensemble, or as a model for extra atoms on a surface exchanging with the vapor above. Play with the simulation. At high temperatures, the spins should not be strongly correlated. At low temperatures the spins should align all parallel, giving a large magnetization. Roughly locate T c, the largest temperature where distant spins remain parallel on average at T = 0. Explore the behavior by gradually lowering the temperature from just above T c to just below T c ; does the behavior gradually change, or jump abruptly (like water freezing to ice)? Explore the behavior at T = 2 (below T c ) as you vary the external field H = ±0.1 up and down through the phase boundary at H = 0 (Fig. 8.5). Does the behavior vary smoothly in that case? We recommend using Matt Bierbaum s simulation, ising.js/, which should run on almost any device. 3 A link to the software can be found at the book Web site [1].

5 References [1] Sethna, J. P. and Myers, C. R. (2004). Entropy, Order Parameters, and Complexity computer exercises: Hints and software. StatMech/ComputerExercises.html.

In-class exercises Day 1

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