Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 107, Issue 36, Pages 15708-15711Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1007354107
Keywords
H2-containing compounds; high-pressure; high-temperature superconductors; metallization
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Funding
- National Natural Science Foundation of China [10874054]
- China 973 Program [2005CB724400]
- 2007 Cheung Kong Scholars Programme of China
- Jilin University [20092004]
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Motivated by the potential high-temperature superconductivity in hydrogen-rich materials, the high-pressure structures of SiH4(H-2)(2) in the pressure range 50-300 GPa were extensively explored by using a genetic algorithm. An intriguing layered orthorhombic (Ccca) structure was revealed to be energetically stable above 248 GPa with the inclusion of zero-point energy. The Ccca structure is metallic and composed of hydrogen shared SiH8 dodecahedra layers intercalated by orientationally ordered molecular H-2. Application of the Allen-Dynes modified McMillan equation yields remarkably high superconducting temperatures of 98-107 K at 250 GPa, among the highest values reported so far for phonon-mediated superconductors. Analysis reveals a unique superconducting mechanism that the direct interactions between H-2 and SiH4 molecules at high pressure play the major role in the high superconductivity, while the contribution from H-2 vibrons is minor.
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