Phys Rev Lett. 2006 Jul 28;97(4):045504. Epub 2006 Jul 27.

High-pressure phases of silane.

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Theory of Condensed Matter Group, Cavendish Laboratory, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom.

Abstract

High-pressure phases of silane SiH4 are predicted using first-principles electronic structure methods. We search for low-enthalpy structures by relaxing from randomly chosen initial configurations, a strategy which is demonstrated to work well for unit cells containing up to at least ten atoms. We predict that silane will metallize at higher pressures than previously anticipated but might show high-temperature superconductivity at experimentally accessible pressures.

PMID:: 16907590; [PubMed]

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High-pressure phases of silane.

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