First-principles calculations to investigate structural, electronic, elastic, optical and transport properties of halide double perovskites Cs2ABF6 (AB = BiAu, AgIr, CuBi, GaAu, InAs, InAg, InAu, InSb and InBi) for solar cells and renewable energy applications

Berri, Saadi

doi:10.1016/j.cplett.2023.140653

Public

First-principles calculations to investigate structural, electronic, elastic, optical and transport properties of halide double perovskites Cs2ABF6 (AB = BiAu, AgIr, CuBi, GaAu, InAs, InAg, InAu, InSb and InBi) for solar cells and renewable energy applications

Shared by NobleBlocks on Jun 12, 2023 • 12:00 AM UTC

Authors:

Saadi Berri

Abstract

• Physuical properties of Cs2ABF6 is calculated within DFT framework. • Cs2ABF6 perovskite shows semiconductors behavior. • The studied compounds operate well for the visible-ultraviolet energy ranges. The first-principles calculations are used for a comprehensive study of the novel halide double pe...

Subject

Thermoelectric effect

Materials science

Optoelectronics

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