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...
| Päätekijät: | , , , |
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| Aineistotyyppi: | Artikkeli |
| Kieli: | English |
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Elsevier
2024-06-01
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| Sarja: | Chemical Physics Impact |
| Aiheet: | |
| Linkit: | http://www.sciencedirect.com/science/article/pii/S2667022424000975 |