Data di Pubblicazione:
2008
Citazione:
Ab initio self-energy corrections in systems with metallic screening / M. Cazzaniga, N. Manini, L.G. Molinari, G. Onida. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 77:3(2008), pp. 035117.035117-1-035117.035117-6.
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.
Tipologia IRIS:
01 - Articolo su periodico
Keywords:
electron band ; metallic screening ; dielectric function
Elenco autori:
M. Cazzaniga, N. Manini, L.G. Molinari, G. Onida
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