Design and Optimization of Self-Powered Photodetector Using Lead-Free Halide Perovskite Ba₃SbI₃: Insights from DFT and SCAPS-1D.

ABSTRACT: All-inorganic halide perovskites have attracted significant interest in photodetector applications due to their remarkable photoresponse properties. However, the toxicity and instability of lead-based perovskites hinder their commercialization. In this work, we propose cubic Ba₃SbI₃ as a promising, environmentally friendly, lead-free material for next-generation photodetector applications. Ba₃SbI₃ shows good light absorption, low effective masses, and favorable elemental abundance and cost, making it a promising candidate compound for device applications. Its structural, mechanical, electronic, and optical properties were systematically investigated using density functional theory (DFT) with the Perdew-Burke-Ernzerhof (PBE) and hybrid HSE06 funct

SUBMITTER: Abdo S 

PROVIDER: S-EPMC12608577 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature