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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-04-01
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| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-024-57341-2 |