科研之友
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摘要
High-pressure structures of germane (GeH(4)) 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 GeH(4) at 220 GPa predict a large electron-phonon coupling parameter lambda of 1.12 and the resulting superconducting critical temperature reaches 64 K.
- 出版日期2008-9-5
- 单位吉林大学
