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

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
Main Authors: Pobitra Barman, Md. Ferdous Rahman, Md. Rasidul Islam, Mehedi Hasan, Mithun Chowdhury, M. Khalid Hossain, Jibon Krishna Modak, Safa Ezzine, Mongi Amami
Format: Article
Language:English
Published: Elsevier 2023-11-01
Series:Heliyon
Subjects:
Density functional theory
First-principles calculation
Mechanical properties
Electronic properties
Band structure
Optical properties
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844023088837

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