Towards a Quantum Many-Body Theory of Lattice Dynamics. I. Time-Dependent Hartree Approximation

Abstract

The phonon is discussed as an example of a collective mode which restores a symmetry property (in this case, translational invariance) to a system whose Hamiltonian is invariant under the symmetry operation, but in whose ground state the symmetry is broken. The crystal lattice is first studied within the time-independent Hartree approximation. It is then shown that allowing small time-dependent changes in the Hartree field generates an equation for the normal modes of vibration. The three k=0 modes with $\omega =0\mathrm{}$ are shown to represent uniform translations of the solid, as expected. The $\mathbf{k}\ne 0$ modes are analyzed to extract those three which may be identified as one-phonon modes, and the contribution of these modes to the free energy is computed. The recent theory of Brout is found to be equivalent to the Hartree approximation with the further assumption that the atoms are infinitely heavy. No restrictions are made here on the interatomic potential other than that a hard core is absent. The reduction of the present theory to well-known results in the case of harmonic forces is demonstrated. An extension to include hard cores, analogous to the Brueckner theory, is discussed.