Phys. Rev. Lett. 97, 045504 (2006) [4 pages]High-Pressure Phases of SilaneReceived 12 April 2006; published 27 July 2006 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. © 2006 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.97.045504
DOI:
10.1103/PhysRevLett.97.045504
PACS:
61.66.Fn, 71.20.−b, 74.10.+v
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