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Hydrogen segregation and its roles in structural stability and metallization: silane under pressure
We present results from first-principles calculations on silane (SiH(4)) under pressure. We find that a three dimensional P-3 structure becomes the most stable phase above 241 GPa. A prominent structural feature, which separates the P-3 structure from previously observed/predicted SiH(4) structures,...
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| Publicado no: | Sci Rep |
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| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4533316/ https://ncbi.nlm.nih.gov/pubmed/26266340 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep13039 |
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