Lead-free novel perovskite Ba3AsI3: First-principles insights into its electrical, optical, and mechanical properties

Lead-free halide perovskites are a crucial family of materials in the fabrication of solar cells. At present, Solar cells are facing several challenges such as mechanical and thermodynamic instability, toxicity, unsuitable optical parameters, bandgap, and absorption coefficient. Ba3AsI3 is a halide...

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Bibliographic Details
Published in:	Heliyon Vol. 9; no. 11; p. e21675
Main Authors:	Barman, Pobitra, Rahman, Md. Ferdous, Islam, Md. Rasidul, Hasan, Mehedi, Chowdhury, Mithun, Hossain, M. Khalid, Modak, Jibon Krishna, Ezzine, Safa, Amami, Mongi
Format:	Journal Article
Language:	English
Published:	Elsevier Ltd 01.11.2023 Elsevier
Subjects:	absorbance Band structure Density functional theory Electronic properties energy family First-principles calculation isotropy Mechanical properties Optical properties solar cells thermodynamics toxicity Mechanical properties Band structure Density functional theory Electronic properties First-principles calculation Optical properties
ISSN:	2405-8440, 2405-8440
Online Access:	Get full text
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