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Phys. Rev. Lett. 101, 107002 (2008) [4 pages]

Superconducting High Pressure Phase of Germane

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Guoying Gao1, Artem R. Oganov2,3, Aitor Bergara4,5, Miguel Martinez-Canales4,5, Tian Cui1, Toshiaki Iitaka6, Yanming Ma1,2,*, and Guangtian Zou1
1National Lab of Superhard Materials, Jilin University, Changchun 130012, P. R. China
2Laboratory of Crystallography, Department of Materials, ETH Zurich, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland
3Geology Department, Moscow State University, 119992 Moscow, Russia
4Materia Kondentsatuaren Fisika Saila, Zientzia eta Teknologia Fakultatea, Euskal Herriko Unibertsitatea, 644 Postakutxatila, 48080 Bilbo, Basque Country, Spain
5Donostia International Physics Center (DIPC),Paseo de Manuel Lardizabal, 20018, Donostia, Basque Country, Spain
6Computational Astrophysics Laboratory, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan

Received 6 July 2008; published 3 September 2008

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 “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.

© 2008 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.101.107002
DOI:
10.1103/PhysRevLett.101.107002
PACS:
74.70.Ad, 74.10.+v, 74.25.Jb, 74.62.Fj

*Author to whom correspondence should be addressed.

mym@jlu.edu.cn

 
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