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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))...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5381373/ https://www.ncbi.nlm.nih.gov/pubmed/25345910 http://dx.doi.org/10.1038/srep06786 |