Superconducting High Pressure Phase of Germane

Guoying Gao, Artem R. Oganov, Aitor Bergara, Miguel Martinez-Canales, Tian Cui, Toshiaki Tanaka, Yanming Ma, Guangtian Zou

Research output: Contribution to journalArticlepeer-review

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 languageEnglish
Article number107002
Number of pages4
JournalPhysical Review Letters
Volume101
Issue number10
DOIs
Publication statusPublished - 3 Sep 2008

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