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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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Detalles Bibliográficos
Autores principales:	Cui, Wenwen, Shi, Jingming, Liu, Hanyu, Yao, Yansun, Wang, Hui, Iitaka, Toshiaki, Ma, Yanming
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group 2015
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4533316/ https://www.ncbi.nlm.nih.gov/pubmed/26266340 http://dx.doi.org/10.1038/srep13039

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