Kohn Anomalies in Superconductors

I present the detailed behavior of phonon dispersion curves near momenta which span the electronic Fermi sea in a superconductor. I demonstrate that an anomaly, similar to the metallic Kohn anomaly, exists in a superconductor's dispersion curves when the frequency of the phonon spanning the Fermi sea exceeds twice the superconducting energy gap. This anomaly occurs at approximately the same momentum but is {\it stronger} than the normal-state Kohn anomaly. It also survives at finite temperature, unlike the metallic anomaly. Determination of Fermi surface diameters from the location of these anomalies, therefore, may be more successful in the superconducting phase than in the normal state. However, the superconductor's anomaly fades rapidly with increased phonon frequency and becomes unobservable when the phonon frequency greatly exceeds the gap. This constraint makes these anomalies useful only in high-temperature superconductors such as $\rm La_{1.85}Sr_{.15}CuO_4$.Comment: 18 pages (revtex) + 11 figures (upon request), NSF-ITP-93-7

Structure and Dynamics of Liquid Iron under Earth's Core Conditions

First-principles molecular dynamics simulations based on density-functional theory and the projector augmented wave (PAW) technique have been used to study the structural and dynamical properties of liquid iron under Earth's core conditions. As evidence for the accuracy of the techniques, we present PAW results for a range of solid-state properties of low- and high-pressure iron, and compare them with experimental values and the results of other first-principles calculations. In the liquid-state simulations, we address particular effort to the study of finite-size effects, Brillouin-zone sampling and other sources of technical error. Results for the radial distribution function, the diffusion coefficient and the shear viscosity are presented for a wide range of thermodynamic states relevant to the Earth's core. Throughout this range, liquid iron is a close-packed simple liquid with a diffusion coefficient and viscosity similar to those of typical simple liquids under ambient conditions.Comment: 13 pages, 8 figure

The polaron-like nature of an electron coupled to phonons

When an electron interacts with phonons, the electron can exhibit either free electron-like or polaron-like properties. The latter tends to occur for very strong coupling, and results in a phonon cloud accompanying the electron as it moves, thus raising its mass considerably. We summarize this behaviour for the Holstein model in one, two and three dimensions, and note that the crossover occurs for fairly low coupling strengths compared to those attributed to real materials exhibiting conventional superconductivity.Comment: 5 pages; contains a summary of single particle results for the Holstein mode

Temperature dependence of phonons in pyrolitic graphite

Dispersion curves for longitudinal and transverse phonons propagating along and near the c-axis in pyrolitic graphite at temperatures between 4/sup 0/K and 1500/sup 0/C have been measured by neutron spectroscopy. The observed frequencies decrease markedly with increasing temperature (except for the transverse optical ''rippling'' modes in the hexagonal planes). The neutron groups show interesting asymmetrical broadening ascribed to interference between one phonon and many phonon processes