Paper 4, Section II, 33E33 E

Applications of Quantum Mechanics
Part II, 2012

Consider a one-dimensional crystal lattice of lattice spacing aa with the nn-th atom having position rn=na+xnr_{n}=n a+x_{n} and momentum pnp_{n}, for n=0,1,,N1n=0,1, \ldots, N-1. The atoms interact with their nearest neighbours with a harmonic force and the classical Hamiltonian is

H=npn22m+12λ(xnxn1)2H=\sum_{n} \frac{p_{n}^{2}}{2 m}+\frac{1}{2} \lambda\left(x_{n}-x_{n-1}\right)^{2}

where we impose periodic boundary conditions: xN=x0x_{N}=x_{0}. Show that the normal mode frequencies for the classical harmonic vibrations of the system are given by

ωl=2λmsin(kla2),\omega_{l}=2 \sqrt{\frac{\lambda}{m}}\left|\sin \left(\frac{k_{l} a}{2}\right)\right|,

where kl=2πl/Nak_{l}=2 \pi l / N a, with ll integer and (for NN even, which you may assume) N/2<l-N / 2<l \leqslant N/2N / 2. What is the velocity of sound in this crystal?

Show how the system may be quantized to give the quantum operator

xn(t)=X0(t)+l02Nmωl[alei(ωltklna)+alei(ωltklna)],x_{n}(t)=X_{0}(t)+\sum_{l \neq 0} \sqrt{\frac{\hbar}{2 N m \omega_{l}}}\left[a_{l} e^{-i\left(\omega_{l} t-k_{l} n a\right)}+a_{l}^{\dagger} e^{i\left(\omega_{l} t-k_{l} n a\right)}\right],

where ala_{l}^{\dagger} and ala_{l} are creation and annihilation operators, respectively, whose commutation relations should be stated. Briefly describe the spectrum of energy eigenstates for this system, stating the definition of the ground state 0|0\rangle and giving the expression for the energy eigenvalue of any eigenstate.

The Debye-Waller factor eW(Q)e^{-W(Q)} associated with Bragg scattering from this crystal is defined by the matrix element

eW(Q)=0eiQx0(0)0e^{-W(Q)}=\left\langle 0\left|e^{i Q x_{0}(0)}\right| 0\right\rangle

In the case where 0X00=0\left\langle 0\left|X_{0}\right| 0\right\rangle=0, calculate W(Q)W(Q).