Mechanical Stability and Energy Gap Evolution in Cs-Based Ag, Bi Halide Double Perovskites under High Pressure: A Theoretical DFT Approach

Due to their intrinsic stability and reduced toxicity, lead-free halide double perovskite semiconductors have become potential alternatives to lead-based perovskites. In the present study, we used density functional theory simulations to investigate the mechanical stability and band gap evolution of...

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Veröffentlicht in:	ACS omega 2023-07, Vol.8 (29), p.26577-26589
Hauptverfasser:	Parrey, Ismahan Duz, Bilican, Fuat, Kursun, Celal, Kart, Hasan Huseyin, Parrey, Khursheed Ahmad
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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