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Exploring the structural, mechanical, magneto-electronic and thermophysical properties of f electron based XNpO3 perovskites (X = Na, Cs, Ca, Ra)

Abstract Here, we present systematic investigation of the structural and mechanical stability, electronic profile and thermophysical properties of f-electron based XNPO3 (X = Na, Cs, Ca, Ra) perovskites by first principles calculations. The structural optimization, tolerance factor criteria depicts...

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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Sakshi Gautam, Dinesh C. Gupta
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Nature Portfolio 2024-04-01
Cyfres:Scientific Reports
Pynciau:
Mynediad Ar-lein:https://doi.org/10.1038/s41598-024-57341-2
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