NDLI: Superconductivity at ∼100 K in dense SiH4(H2)2 predicted by first principles

Content Provider	PubMed Central
Author	Li, Yinwei Gao, Guoying Xie, Yu Ma, Yanming Cui, Tian Zou, Guangtian
Abstract	Motivated by the potential high-temperature superconductivity in hydrogen-rich materials, the high-pressure structures of SiH4(H2)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 H2. 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 H2 and SiH4 molecules at high pressure play the major role in the high superconductivity, while the contribution from H2 vibrons is minor.
Related Links	http://dx.doi.org/10.1073/pnas.1007354107
Ending Page	15711
Page Count	4
Starting Page	15708
File Format	PDF
ISSN	00278424
e-ISSN	10916490
Journal	Proceedings of the National Academy of Sciences of the United States of America
Issue Number	36
Volume Number	107
Language	English
Publisher	National Academy of Sciences
Publisher Date	2010-09-07
Access Restriction	Open
Rights Holder	National Academy of Sciences
Subject Keyword	General Research in Higher Education
Content Type	Text
Resource Type	Article
Subject	Multidisciplinary

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