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

doi:10.1134/S1027451021030149

First Principles Analysis of Crystal Structure, Electronic and Optical Properties of CsSnI_3–xBr_x Perovskite for Photoelectric Applications

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

^*Corresponding author for this work

School of Fundamental Science and Engineering

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Abstract

Abstract: The crystal structure, electronic and optical properties of lead-free mixed halide inorganic perovskites, CsSnI_3–xBr_x (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 CsSnI_3–xBr_x system has a property favorable for application in solar cells.

Original language	English
Pages (from-to)	532-536
Number of pages	5
Journal	Journal of Surface Investigation
Volume	15
Issue number	3
DOIs	https://doi.org/10.1134/S1027451021030149
Publication status	Published - 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

Access to Document

10.1134/S1027451021030149

Cite this

@article{4f0153047a454bb996771fe0c43a2d05,

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

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.",

keywords = "band gap, density functional theory, electronic structure, modified Becke–Johnson potential, perovskite solar cell",

author = "Nematov, {D. D.} and Burhonzoda, {A. S.} and Khusenov, {M. A.} and Kholmurodov, {Kh T.} and T. Yamamoto",

note = "Publisher Copyright: {\textcopyright} 2021, Pleiades Publishing, Ltd.",

year = "2021",

month = may,

doi = "10.1134/S1027451021030149",

language = "English",

volume = "15",

pages = "532--536",

journal = "Journal of Surface Investigation",

issn = "1027-4510",

publisher = "Maik Nauka-Interperiodica Publishing",

number = "3",

}

TY - JOUR

T1 - First Principles Analysis of Crystal Structure, Electronic and Optical Properties of CsSnI3–xBrx Perovskite for Photoelectric Applications

AU - Nematov, D. D.

AU - Burhonzoda, A. S.

AU - Khusenov, M. A.

AU - Kholmurodov, Kh T.

AU - Yamamoto, T.

PY - 2021/5

Y1 - 2021/5

N2 - 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.

AB - 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.

KW - band gap

KW - density functional theory

KW - electronic structure

KW - modified Becke–Johnson potential

KW - perovskite solar cell

UR - http://www.scopus.com/inward/record.url?scp=85108893803&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85108893803&partnerID=8YFLogxK

U2 - 10.1134/S1027451021030149

DO - 10.1134/S1027451021030149

M3 - Article

AN - SCOPUS:85108893803

SN - 1027-4510

VL - 15

SP - 532

EP - 536

JO - Journal of Surface Investigation

JF - Journal of Surface Investigation

IS - 3

ER -