Comments: First-principles study of the structural, mechanical, electronic, optical, and elastic properties of non-toxic XGeBr3 (X=K, Rb, and Cs) perovskite for optoelectronic and radiation sensing applications

First-principles study of the structural, mechanical, electronic, optical, and elastic properties of non-toxic XGeBr3 (X=K, Rb, and Cs) perovskite for optoelectronic and radiation sensing applications

In this study, a comprehensive analysis of the structural, electronic, optical, and elastic properties of cubic perovskite structure XGeBr3(X=K,Rb,andCs) was carried out using GGA-PBE functional based density functional theory in CASTEP code. The simulated values of the lattice parameter were increa...

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Bibliographic Details
Main Authors:	Miah M.H., Ashrafi N.-E., Rahman M.B., Nur-E-Alam M., Islam M.A., Naseer K.A., Hanfi M.Y., Osman H., Khandaker M.U.
Other Authors:	57373098800
Format:	Article
Published:	Elsevier Ltd 2025
Subjects:	Absorption spectroscopy Bromine compounds Cesium compounds Density functional theory Elasticity Energy gap Iodine compounds Mechanical stability Perovskite Perovskite solar cells Quantum chemistry Refractive index Rubidium compounds Structural properties Anisotropy contour plot Broad absorptions Contour plot DFT Elastic properties ELATE First-principle study Mechanical Optical- Optoelectronics property Anisotropy
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First-principles study of the structural, mechanical, electronic, optical, and elastic properties of non-toxic XGeBr3 (X=K, Rb, and Cs) perovskite for optoelectronic and radiation sensing applications

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