A first-principle study of optoelectronic, elastic, and thermodynamic properties of cubic perovskite FrQCl3 (Q = Be, Mg)

A first-principle study of optoelectronic, elastic, and thermodynamic properties of cubic perovskite FrQCl3 (Q = Be, Mg)

The material properties of the inorganic metal halide perovskite compound FrQCl3 (Q = Be, Mg) have been investigated using first-principles density functional theory. The optimized structures confirm their stability, and the negative formation enthalpy indicates their chemical resilience. The calcul...

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Bibliographic Details
Main Authors: Umme Bushra, Md. Ashikur Rahman, Shakhawat Hossain, Md. Alamgir Badsha
Format: Article
Language:English
Published: AIP Publishing LLC 2025-04-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0256106
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