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Superconducting high pressure phase of germane

AuthorsGao, Guoying; Oganov, Artem R.; Bergara, Aitor ; Martínez-Canales, Miguel; Cui, Tian; Iitaka, Toshiaki; Ma, Yanming; Zou, Guangtian
Keywords[PACS] Superconducting metals, alloys and binary compounds
[PACS] Occurrence of superconductivity
[PACS] Electronic structure of superconductors
[PACS] Pressure effects on superconducting transition temperature
Issue Date3-Sep-2008
PublisherAmerican Physical Society
CitationPhys. Rev. Lett. 101, 107002 (2008)
AbstractHigh-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 "H2" units. Enthalpy calculations suggest a remarkably wide decomposition (Ge+H2) pressure range of 0–196 GPa, above which C2/c structure is stable. Perturbative linear-response calculations for C2/c GeH4 at 220 GPa predict a large electron-phonon coupling parameter λ of 1.12 and the resulting superconducting critical temperature reaches 64 K.
Description4 pages, 3 figures.-- PACS nrs.: 74.70.Ad, 74.10.+v, 74.25.Jb, 74.62.Fj.
Publisher version (URL)http://dx.doi.org/10.1103/PhysRevLett.101.107002
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