Investigation of ordered dispersive effect, charge density, thermal properties and disappearance of spin polarization in perovskite CsBeO3 under the influence of pressure-A DFT perspective

Investigation of ordered dispersive effect, charge density, thermal properties and disappearance of spin polarization in perovskite CsBeO3 under the influence of pressure-A DFT perspective

Full Potential Linearized Augmented Plane Wave method (FP-LAPW) was employed to investigate the behavior of cubic perovskite CsBeO3 under the influence of pressure. The spin polarized study has been carried out in PBE-GGA approximation under the application of pressure. The variation of pressure is...

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Bibliographic Details
Main Authors: M. Mohamed Sheik Sirajuddeen, Aftab Alam, A. Shahjahan, E. Manikandan
Format: Article
Language:English
Published: Elsevier 2024-06-01
Series:Chemical Physics Impact
Subjects:
Order dispersive effect
electronic properties
Elastic properties
Thermal properties
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022424000975

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http://www.sciencedirect.com/science/article/pii/S2667022424000975

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