First-principles quasiparticle damping rates in bulk lead

Abstract

First-principles calculations of the damping rates (inverse inelastic lifetimes), τ-1, of low-energy quasiparticles in bulk Pb are presented. Damping rates are obtained both for excited electrons and holes with energies up to 8 eV on a set of k vectors throughout the Brillouin zone (BZ). Strong localization effects in the calculated τ-1 are found. Averaged over the BZ inelastic lifetimes versus quasiparticle energy are reported as well. Consequences of inclusion of the ab initio Pb band structure in the lifetime calculation are analyzed. In addition, the effect of the spin-orbit-induced splitting in the band structure on the calculated lifetimes in Pb is investigated. © 2011 American Physical Society.