期刊
PHYSICAL REVIEW LETTERS
卷 101, 期 10, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.101.107002
关键词
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资金
- China 973 Program [2005CB724400]
- NSAF of China [10676011]
- New Century Excellent Talents in University
- Cheung Kong Scholars Program of China
- Swiss National Science Foundation [200021-111847/1]
- EC 6th framework Network of Excellence NANOQUANTA [NMP4-CT-2004-500198]
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 suggest a remarkably wide decomposition (Ge+H-2) 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 lambda of 1.12 and the resulting superconducting critical temperature reaches 64 K.
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