Structural, elastic, and thermodynamic properties of BaXCl3 (X = Li, Na) perovskites under pressure effect: ab initio exploration
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DOI: 10.1088/1402-4896/acd3c4
Abstract: In this study, we employed the ab initio pseudopotential plane wave approach, utilizing the GGA-PBEsol exchange-correlation functional, to investigate the structural, elastic, and thermodynamic properties of BaXCl3 (X = Li, Na) perovskites under hydrostatic pressures… read more here.
Keywords: baxcl3 perovskites; structural elastic; thermodynamic properties; properties baxcl3 ... See more keywords