Ab-initio self-energy corrections in systems with metallic screening

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.

revtex, 14 pages including 5 eps figures v2: few fixed

References in corpus (3)

• The GW space-time method for the self-energy of large systems
• Plane-waves DFT-LDA calculation of the electronic structure and absorption spectrum of Copper
• Elimination of unoccupied state summations in ab-initio self-energy calculations for large supercells

Cited by in corpus (4)

• The bandstructure of gold from many-body perturbation theory
• Automation methodologies and large-scale validation for $GW$, towards high-throughput $GW$ calculations
• Efficient full frequency GW for metals using a multipole approach for the dielectric screening
• All electron GW with linearized augmented plane waves for metals and semiconductors