Superconducting High Pressure Phase of Germane

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

doi:10.1103/PhysRevLett.101.107002

Superconducting High Pressure Phase of Germane

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

School of Physics and Astronomy

Research output: Contribution to journal › Article › peer-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 language	English
Article number	107002
Number of pages	4
Journal	Physical Review Letters
Volume	101
Issue number	10
DOIs	https://doi.org/10.1103/PhysRevLett.101.107002
Publication status	Published - 3 Sep 2008

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10.1103/PhysRevLett.101.107002

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title = "Superconducting High Pressure Phase of Germane",

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.",

author = "Guoying Gao and Oganov, {Artem R.} and Aitor Bergara and Miguel Martinez-Canales and Tian Cui and Toshiaki Tanaka and Yanming Ma and Guangtian Zou",

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AU - Gao, Guoying

AU - Oganov, Artem R.

AU - Bergara, Aitor

AU - Martinez-Canales, Miguel

AU - Cui, Tian

AU - Tanaka, Toshiaki

AU - Ma, Yanming

AU - Zou, Guangtian

PY - 2008/9/3

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N2 - 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.

AB - 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.

U2 - 10.1103/PhysRevLett.101.107002

DO - 10.1103/PhysRevLett.101.107002

M3 - Article

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VL - 101

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 10

M1 - 107002

ER -

Superconducting High Pressure Phase of Germane

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