title: Pressure-Induced Structures and Properties in Indium Hydrides.
abstract: The structures, electron properties, and potential superconductivity of indium hydrides are systematically studied under high pressure by first-principles density functional calculations. Upon compression, two stable stoichiometries (InH3 and InH5) are predicted to be thermodynamically stable. Particularly, in the two compounds, all hydrogen atoms exist in the form of H2 or H3 units. The stable phases present metallic features with the overlap between the conduction and the valence bands. The Bader analysis indicates that charges transfer from In atoms to H atoms. Electron-phonon calculations show that the estimated transition temperatures (Tc) of InH3 and InH5 are 34.1-40.5 and 22.4-27.1 K at 200 and 150 GPa, respectively.
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University , Changchun, 130012, People's Republic of China.
authors.forename: Yunxian
authors.initials: Y
authors.lastname: Liu
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University , Changchun, 130012, People's Republic of China.
authors.forename: Defang
authors.initials: D
authors.lastname: Duan
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University , Changchun, 130012, People's Republic of China.
authors.forename: Fubo
authors.initials: F
authors.lastname: Tian
authors.affiliation: Geophysical Laboratory, Carnegie Institution of Washington , Washington D.C. 20015, United States.
authors.forename: Hanyu
authors.initials: H
authors.lastname: Liu
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University , Changchun, 130012, People's Republic of China.
authors.forename: Chao
authors.initials: C
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University , Changchun, 130012, People's Republic of China.
authors.forename: Xiaoli
authors.initials: X
authors.lastname: Huang
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University , Changchun, 130012, People's Republic of China.
authors.forename: Da
authors.initials: D
authors.lastname: Li
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University , Changchun, 130012, People's Republic of China.
authors.forename: Yanbin
authors.initials: Y
authors.lastname: Ma
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University , Changchun, 130012, People's Republic of China.
authors.forename: Bingbing
authors.initials: B
authors.lastname: Liu
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University , Changchun, 130012, People's Republic of China.
authors.forename: Tian
authors.initials: T
authors.lastname: Cui