English

Self-consistent solution of Hedin's equations: semiconductors/insulators

Strongly Correlated Electrons 2017-05-17 v2

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 WW) is applied in both the polarizability PP and the self-energy Σ\Sigma, and (ii) the vertex function obtained from the Bethe-Salpeter equation is used in PP whereas the vertex of the first-order is used in Σ\Sigma. Both schemes show considerable improvement in the accuracy of the calculated band gaps as compared to the self-consistent GWGW approach (scGWGW) and to the self-consistent quasi-particle GWGW approach (QSGWGW). 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

R2 v1 2026-06-22T16:32:44.818Z