Ab-initio self-energy corrections in systems with metallic screening
Materials Science
2009-11-13 v2
Abstract
The calculation of self-energy corrections to the electron bands of a metal requires the evaluation of the intraband contribution to the polarizability in the small-q limit. When neglected, as in standard GW codes for semiconductors and insulators, a spurious gap opens at the Fermi energy. Systematic methods to include intraband contributions to the polarizability exist, but require a computationally intensive Fermi-surface integration. We propose a numerically cheap and stable method, based on a fit of the power expansion of the polarizability in the small-q region. We test it on the homogeneous electron gas and on real metals such as sodium and aluminum.
Keywords
Cite
@article{arxiv.0709.1564,
title = {Ab-initio self-energy corrections in systems with metallic screening},
author = {Marco Cazzaniga and Nicola Manini and Luca Guido Molinari and Giovanni Onida},
journal= {arXiv preprint arXiv:0709.1564},
year = {2009}
}
Comments
revtex, 14 pages including 5 eps figures v2: few fixed