Abstract
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.
Original language | English |
---|---|
Article number | 107002 |
Number of pages | 4 |
Journal | Physical Review Letters |
Volume | 101 |
Issue number | 10 |
DOIs | |
Publication status | Published - 3 Sept 2008 |