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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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Bibliographic Details
Published in:Sci Rep
Main Authors: Wang, Yi X., Wu, Q., Chen, Xiang R., Geng, Hua Y.
Format: Artigo
Language:Inglês
Published: Nature Publishing Group 2016
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Online Access: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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