Self-consistent solution of Hedin's equations: semiconductors/insulators
Abstract
The band gaps of a few selected semiconductors/insulators are obtained from the self-consistent solution of the Hedin's equations. Two different schemes to include the vertex corrections are studied: (i) the vertex function of the first-order (in the screened interaction ) is applied in both the polarizability and the self-energy , and (ii) the vertex function obtained from the Bethe-Salpeter equation is used in whereas the vertex of the first-order is used in . Both schemes show considerable improvement in the accuracy of the calculated band gaps as compared to the self-consistent approach (sc) and to the self-consistent quasi-particle approach (QS). To further distinguish between the performances of two vertex-corrected schemes one has to properly take into account the effect of the electron-phonon interaction on the calculated band gaps which appears to be of the same magnitude as the difference between schemes i) and ii).
Keywords
Cite
@article{arxiv.1610.08395,
title = {Self-consistent solution of Hedin's equations: semiconductors/insulators},
author = {Andrey L. Kutepov},
journal= {arXiv preprint arXiv:1610.08395},
year = {2017}
}
Comments
7 pages, 8 figures, 3 tables