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Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations

The pressure-induced transition of vanadium from BCC to rhombohedral structures is unique and intriguing among transition metals. In this work, the stability of these phases is revisited by using density functional theory. At finite temperatures, a novel transition of rhombohedral phases back to BCC...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Wang, Yi X., Wu, Q., Chen, Xiang R., Geng, Hua Y.
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5007533/
https://ncbi.nlm.nih.gov/pubmed/27581551
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep32419
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