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Phase transitions, mechanical properties and electronic structures of novel boron phases under high-pressure: A first-principles study
We have explored the mechanical properties, electronic structures and phase transition behaviors of three designed new phases for element boron from ambient condition to high-pressure of 120 GPa including (1) a C2/c symmetric structure (m-B(16)); (2) a [Image: see text] symmetric structure (c-B(56))...
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Publicado no: | Sci Rep |
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Main Authors: | , , |
Formato: | Artigo |
Idioma: | Inglês |
Publicado em: |
Nature Publishing Group
2014
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Assuntos: | |
Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5381373/ https://ncbi.nlm.nih.gov/pubmed/25345910 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep06786 |
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