First-principles study on structural, electronic and optical properties of halide double perovskite Cs2AgBX6 (B = In, Sb; X = F, Cl, Br, I)

Author:

Yu Chol-Jun1ORCID,Ri Il-Chol1,Ri Hak-Myong1,Jang Jong-Hyok1,Kim Yun-Sim1,Jong Un-Gi1ORCID

Affiliation:

1. Computational Materials Design, Faculty of Materials Science, Kim Il Sung University, PO Box 76, Pyongyang, Democratic People's Republic of Korea

Abstract

First-principles calculations have been performed to study structural, elastic, electronic and optical properties of all-inorganic halide double perovskites Cs2AgBX6 (B = In, Sb; X = F, Cl, Br, I) for solar cell and light emission applications.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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