B4.24

Applications of Quantum Mechanics
Part II, 2003

Atoms of mass mm in an infinite one-dimensional periodic array, with interatomic spacing aa, have perturbed positions xn=na+ynx_{n}=n a+y_{n}, for integer nn. The potential between neighbouring atoms is

12λ(xn+1xna)2\frac{1}{2} \lambda\left(x_{n+1}-x_{n}-a\right)^{2}

for positive constant λ\lambda. Write down the Lagrangian for the variables yny_{n}. Find the frequency ω(k)\omega(k) of a normal mode of wavenumber kk. Define the Brillouin zone and explain why kk may be restricted to lie within it.

Assume now that the array is periodically-identified, so that there are effectively only NN atoms in the array and the atomic displacements yny_{n} satisfy the periodic boundary conditions yn+N=yny_{n+N}=y_{n}. Determine the allowed values of kk within the Brillouin zone. Show, for allowed wavenumbers kk and kk^{\prime}, that

n=0N1ein(kk)a=Nδk,k\sum_{n=0}^{N-1} e^{i n\left(k-k^{\prime}\right) a}=N \delta_{k, k^{\prime}}

By writing yny_{n} as

yn=1Nkqkeinkay_{n}=\frac{1}{\sqrt{N}} \sum_{k} q_{k} e^{i n k a}

where the sum is over allowed values of kk, find the Lagrangian for the variables qkq_{k}, and hence the Hamiltonian HH as a function of qkq_{k} and the conjugate momenta pkp_{k}. Show that the Hamiltonian operator H^\hat{H} of the quantum theory can be written in the form

H^=E0+kω(k)akak\hat{H}=E_{0}+\sum_{k} \hbar \omega(k) a_{k}^{\dagger} a_{k}

where E0E_{0} is a constant and ak,aka_{k}, a_{k}^{\dagger} are harmonic oscillator annihilation and creation operators. What is the physical interpretation of aka_{k} and aka_{k}^{\dagger} ? How does this show that phonons have quantized energies?