Ab initio predictions of pressure-dependent structural, elastic, and thermodynamic properties of GaMF<sub>3</sub> (M = Ca, and Sr) halide perovskites

Ab initio predictions of pressure-dependent structural, elastic, and thermodynamic properties of GaMF<sub>3</sub> (M = Ca, and Sr) halide perovskites

The structural, elastic, and thermodynamic characteristics of the GaCaF3 and GaSrF3 halide perovskites have been predicted for the first time, using ab initio pseudopotential plane wave calculations. The equilibrium lattice parameters are in good agreement with previously documented results. Both co...

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Bibliographic Details
Main Authors: Bedjaoui, Abdelhak, Allali, Djamel, Radjai, Missoum, Bouhemadou, Abdelmadjid, Essaoud, Saber Saad, Bin-Omran, Saad, Khenata, Rabah, Al-Douri, Yarub
Format: Article
Published: Elsevier 2024
Subjects:
Q Science (General)
QC Physics
Online Access:http://eprints.um.edu.my/45095/
https://doi.org/10.1016/j.ssc.2024.115532
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Institution: Universiti Malaya

Internet

http://eprints.um.edu.my/45095/
https://doi.org/10.1016/j.ssc.2024.115532

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