Superconducting High Pressure Phase of Germane

Guoying Gao, Artem R. Oganov, Aitor Bergara, Miguel Martinez-Canales, Tian Cui, Toshiaki Iitaka, Yanming Ma, and Guangtian Zou
Phys. Rev. Lett. 101, 107002 – Published 3 September 2008

Abstract

High-pressure structures of germane (GeH4) are explored through ab initio evolutionary methodology to reveal a metallic monoclinic structure of C2/c (4molecules/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.

  • Figure
  • Figure
  • Figure
  • Received 6 July 2008

DOI:https://doi.org/10.1103/PhysRevLett.101.107002

©2008 American Physical Society

Authors & Affiliations

Guoying Gao1, Artem R. Oganov2,3, Aitor Bergara4,5, Miguel Martinez-Canales4,5, Tian Cui1, Toshiaki Iitaka6, Yanming Ma1,2,*, and Guangtian Zou1

  • 1National Lab of Superhard Materials, Jilin University, Changchun 130012, P. R. China
  • 2Laboratory of Crystallography, Department of Materials, ETH Zurich, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland
  • 3Geology Department, Moscow State University, 119992 Moscow, Russia
  • 4Materia Kondentsatuaren Fisika Saila, Zientzia eta Teknologia Fakultatea, Euskal Herriko Unibertsitatea, 644 Postakutxatila, 48080 Bilbo, Basque Country, Spain
  • 5Donostia International Physics Center (DIPC),Paseo de Manuel Lardizabal, 20018, Donostia, Basque Country, Spain
  • 6Computational Astrophysics Laboratory, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan

  • *Author to whom correspondence should be addressed. mym@jlu.edu.cn

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 101, Iss. 10 — 5 September 2008

Reuse & Permissions
Access Options

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review Letters

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×