Exploring the mechanical, dynamical, and thermal stability of Cs2AgBiX6 (X = Br, Cl) for optoelectronic and thermoelectric applications

Exploring the mechanical, dynamical, and thermal stability of Cs2AgBiX6 (X = Br, Cl) for optoelectronic and thermoelectric applications

Abstract This study investigates the mechanical, dynamical, and thermodynamic properties of Cs2AgBiX6(X = Br, Cl) using first-principles calculations. Structural analysis confirms the cubic double perovskite arrangement, with Cs2AgBiCl6 exhibiting a more compact lattice due to the smaller ionic radi...

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Bibliographic Details
Main Authors: M. A. Ghebouli, K. Bouferrache, Rabah Boudissa, B. Ghebouli, M. Fatmi, Faisal Katib Alanazi
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Double perovskite
Cs2AgBiX6 (X = Br, Cl)
Mechanical stability
Dynamical stability
Phonon dispersion
Online Access:https://doi.org/10.1038/s41598-025-05549-1
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https://doi.org/10.1038/s41598-025-05549-1

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