The Impact of Hydrostatic Pressure on the Structural, Mechanical, Thermal, and Optoelectronic Characteristics of the RbV3Sb5 Kagome Compound: Ab initio Approach

Abstract We studied the RbV3Sb5 kagome compound's structural, mechanical, thermal, and optoelectronic properties. Mulliken and Hirshfeld population analysis found ionic and covalent connections in RbV3Sb5. The Born stability criterion shows that pure RbV3Sb5 is mechanically stable. The precise measu...

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Κύριοι συγγραφείς:	Prianka Mondal, Md. Raihan Islam, Mst. Shamima Khanom, Farid Ahmed
Μορφή:	Artigo
Γλώσσα:	Inglês
Έκδοση:	Wiley-VCH 2025-01-01
Σειρά:	ChemistryOpen
Θέματα:	RbV3Sb5 kagome Mechanical and thermal properties DFT Phonon property Optoelectronics
Διαθέσιμο Online:	https://doi.org/10.1002/open.202400291
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