High-Pressure Phases of Silane
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- 27 July 2006
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 97 (4) , 045504
Abstract
High-pressure phases of silane 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.
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