Investigation of the optoelectronic properties of cubic metal halide perovskite compound RbSiCl3

Lead free halide metal perovskite compounds have been exploring more since last decades due to their wide potential applications as well as their environmental friendly nature. Presented work agreements with the density functional investigation of the material properties (optoelectronic) of lead fre...

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Published inMaterials today : proceedings Vol. 79; pp. 320 - 323
Main Authors Karwasara, Hansraj, Khan, Karina, Gaur, Aditi, Ahuja, Ushma, Soni, Amit, Sahariya, Jagrati
Format Journal Article
LanguageEnglish
Published Elsevier Ltd 2023
Subjects
DFT
Optoelectronic properties
Perovskite compounds
Optoelectronic properties
DFT
Perovskite compounds
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Summary:Lead free halide metal perovskite compounds have been exploring more since last decades due to their wide potential applications as well as their environmental friendly nature. Presented work agreements with the density functional investigation of the material properties (optoelectronic) of lead free halide metal perovskite compound RbSiCl3 by using WIEN2k code that is rely on FP-LAPW: full potential-linearized augmented plane wave method. The optoelectronic response are well explored by the Perdew Burke Ernzergof GGA exchange correlation functional. The computed energy band gap of this compound is 0.96 eV and results reveal that it is direct band gap semiconductor material. In addition, the integrated absorption coefficient also computed through absorption spectra, which gives the value 123.39 (×104 eV/cm). All computation proves the utility of the compound for photovoltaic and optoelectronic applications.
ISSN:2214-7853
2214-7853
DOI:10.1016/j.matpr.2022.11.382