Quasiparticle excitation spectrum for nearly-free-electron metals.

Abstract

The quasiparticle excitation spectrum is calculated for the nearly-free-electron metals Li, Na, and Al by evaluation of the electron self-energy operator within the GW approximation and a generalized plasmon-pole model. The calculated quasiparticle energies for Na and Al are in excellent agreement with angle-resolved photoemission experiments. For Na in particular, the occupied-band width is significantly narrower than the free-electron value, as found in experiment. Inclusion of exchange and correlation effects in the dielectric matrix is shown to decrease the bandwidth relative to the random-phase-approximation result by a significant amount. Local-field effects, reflected in the off-diagonal elements of the dielectric matrix, are found to have little effect on the quasiparticle band structure of these simple metals.