Unknown

Dataset Information

0

Superconductivity at approximately 100 K in dense SiH4(H2)2 predicted by first principles.

ABSTRACT: Motivated by the potential high-temperature superconductivity in hydrogen-rich materials, the high-pressure structures of SiH(4)(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 SiH(8) 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 SiH(4) molecules at high pressure play the major role in the high superconductivity, while the contribution from H(2) vibrons is minor.

SUBMITTER: Li Y 

PROVIDER: S-EPMC2936615 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

Superconductivity at approximately 100 K in dense SiH4(H2)2 predicted by first principles.

Li Yinwei Y   Gao Guoying G   Xie Yu Y   Ma Yanming Y   Cui Tian T   Zou Guangtian G  

Proceedings of the National Academy of Sciences of the United States of America 20100823 36

Motivated by the potential high-temperature superconductivity in hydrogen-rich materials, the high-pressure structures of SiH(4)(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 SiH(8) dodecahedra layers intercalated by orientationally order  ...[more]

Similar Datasets

Unknown Pressure-induced superconductivity in H2-containing hydride PbH4(H2)2.
| S-EPMC4642309 | biostudies-literature
Unknown Optical properties of dense lithium in electride phases by first-principles calculations.
| S-EPMC5832767 | biostudies-literature
Unknown Free surfaces recast superconductivity in few-monolayer MgB2: Combined first-principles and ARPES demonstration.
| S-EPMC5663715 | biostudies-literature
Unknown Unified understanding of superconductivity and Mott transition in alkali-doped fullerides from first principles.
| S-EPMC4643794 | biostudies-literature
Unknown Superconductivity in highly disordered dense carbon disulfide.
| S-EPMC3718174 | biostudies-literature
Unknown Ferromagnetic Half-Metal Cyanamides Cr(NCN)2 Predicted from First Principles Investigation.
| S-EPMC7216073 | biostudies-literature
Unknown Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles.
| S-EPMC4731798 | biostudies-other
Unknown High applicability of two-dimensional phosphorous in Kagome lattice predicted from first-principles calculations.
| S-EPMC4793239 | biostudies-other
Unknown Comparisons with Caenorhabditis (approximately 100 Mb) and Drosophila (approximately 175 Mb) using flow cytometry show genome size in Arabidopsis to be approximately 157 Mb and thus approximately 25% larger than the Arabidopsis genome initiative estimate of approximately 125 Mb.
| S-EPMC4242247 | biostudies-literature
Unknown Stabilizing superconductivity of ternary metal pentahydride [Formula: see text] via electronic topological transitions under high pressure from first principles evolutionary algorithm.
| S-EPMC9039074 | biostudies-literature