First Principles Analysis of Crystal Structure, Electronic and Optical Properties of CsSnI3–xBrx Perovskite for Photoelectric Applications

D. D. Nematov, A. S. Burhonzoda, M. A. Khusenov, Kh T. Kholmurodov, T. Yamamoto

Research output: Contribution to journalArticlepeer-review

Abstract

Abstract: The crystal structure, electronic and optical properties of lead-free mixed halide inorganic perovskites, CsSnI3–xBrx (x = 0, 1, 2, 3), were studied within the framework of density functional theory. The effective electron-electron exchange correlation functional and, modified Becke–Johnson potential, were used for calculations of electronic and optical properties. The calculated optical parameters and the density of electronic states indicate that the CsSnI3–xBrx system has a property favorable for application in solar cells.

Original languageEnglish
Pages (from-to)532-536
Number of pages5
JournalJournal of Surface Investigation
Volume15
Issue number3
DOIs
Publication statusPublished - 2021 May

Keywords

  • band gap
  • density functional theory
  • electronic structure
  • modified Becke–Johnson potential
  • perovskite solar cell

ASJC Scopus subject areas

  • Surfaces, Coatings and Films

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