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

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...

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Bibliographic Details
Main Authors: Prianka Mondal, Md. Raihan Islam, Mst. Shamima Khanom, Farid Ahmed
Format: Article
Language:English
Published: Wiley-VCH 2025-01-01
Series:ChemistryOpen
Subjects:
RbV3Sb5 kagome
Mechanical and thermal properties
DFT
Phonon property
Optoelectronics
Online Access:https://doi.org/10.1002/open.202400291
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https://doi.org/10.1002/open.202400291

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