Superconducting high pressure phase of germane

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Gao, G. Y.; Oganov, A. R.; Bergara, A.; Martinez-Canales, M.; Cui, T.; Iitaka, T.; Ma, Y. M.; Zou, G. T.;
(2008)
  • Publisher: American Physical Society
  • Related identifiers: doi: 10.1103/PhysRevLett.101.107002, handle: 10261/8503
  • Subject: [PACS] Occurrence of superconductivity | [PACS] Pressure effects on superconducting transition temperature | [PACS] Superconducting metals, alloys and binary compounds | CRYSTAL-STRUCTURE PREDICTION, AUGMENTED-WAVE METHOD, METALLIC HYDROGEN, SOLID HYDROGEN, TEMPERATURE, PSEUDOPOTENTIALS, SILANE, GPA | [PACS] Electronic structure of superconductors

High-pressure structures of germane (GeH4) are explored through ab initio evolutionary methodology to reveal a metallic monoclinic structure of C2/c (4 molecules/cell). The C2/c structure consists of layerlike motifs containing novel "H-2" units. Enthalpy calculations s... View more
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