Calculations of the mechanical, optoelectronic, and magnetic properties of FrGeX3 (X = Cl, Br, I) under hydrostatic pressures based on first-principles theories

Calculations of the mechanical, optoelectronic, and magnetic properties of FrGeX3 (X = Cl, Br, I) under hydrostatic pressures based on first-principles theories

Using first-principles calculations based on density functional theory, this work investigated the mechanical, magnetic, elastic, electrical, and optical characteristics of the halide-based perovskite FrGeX3 (X = Cl, Br, I) at different hydrostatic pressures ranging from 0 to 9 GPa. It was determine...

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Bibliographic Details
Main Authors:	M. D. Ratul Hasan, Imtiaz Ahamed Apon, Istiak Ahmed Ovi, Mohammad Salman Haque
Format:	Article
Language:	English
Published:	AIP Publishing LLC 2024-03-01
Series:	AIP Advances
Online Access:	http://dx.doi.org/10.1063/5.0201448

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