Study of band structure renormalization of tight-binding model semiconductor by incorporating GW self-energy

A. R. Hayyu, A. Azhar, Muhammad Aziz Majidi

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

In semiconductors containing transition metal elements having d orbitals in their valence and/or conduction band(s), which we consider as strongly correlated semiconductors, electron-electron (e-e) interactions may play a more significant role. We hypothesize that such kind of semiconductors would have band structures, including their band gaps, being rather sensitive to temperature change due to e-e interactions. We construct the model Hamiltonian through tight-binding approximation incorporating e-e interactions in the self energy. We solve the model within GW method. The GW self-consistent calculation is performed numerically in the Matsubara frequency domain. Then, we do analytic continuation using Padé approximant to obtain the retarded Green function defined in the real frequency domain. Using this retarded Green function, in principle, we can calculate and analyze the density of states (DOS) at various temperatures for short-ranged as well as long-ranged repulsive Coulomb interactions. However, in this paper we only present our calculation results for short-range interactions. Our results show that the correlation effects become stronger as temperature is decreased, which reflect in the fact that the band gap increases and chemical potential shifts to a higher energy due to the presence of e-e repulsive interactions.

Original languageEnglish
Title of host publicationProceedings of the 3rd International Symposium on Current Progress in Mathematics and Sciences 2017, ISCPMS 2017
EditorsRatna Yuniati, Terry Mart, Ivandini T. Anggraningrum, Djoko Triyono, Kiki A. Sugeng
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735417410
DOIs
Publication statusPublished - 22 Oct 2018
Event3rd International Symposium on Current Progress in Mathematics and Sciences 2017, ISCPMS 2017 - Bali, Indonesia
Duration: 26 Jul 201727 Jul 2017

Publication series

NameAIP Conference Proceedings
Volume2023
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference3rd International Symposium on Current Progress in Mathematics and Sciences 2017, ISCPMS 2017
CountryIndonesia
CityBali
Period26/07/1727/07/17

Keywords

  • GW method
  • band-structure renormalization
  • electron-electron interactions
  • semiconductors
  • strongly-correlated systems

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