First-Principles and PSO-Driven Exploration of Ca-Pt Intermetallics: Stable Phases and Pressure-Driven Transitions
In this study, first-principles calculations in conjunction with the particle swarm optimization (PSO) algorithm structure search method were employed to investigate the stable phases of Ca-Pt intermetallic compounds under various pressure conditions. The previously reported CaPt<sub>5</sub> phase a...
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| Autori principali: | , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
MDPI AG
2025-03-01
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| Serie: | Crystals |
| Soggetti: | |
| Accesso online: | https://www.mdpi.com/2073-4352/15/3/263 |
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