title: Superconducting high-pressure phases of disilane.
abstract: High-pressure structures of disilane (Si(2)H(6)) are investigated extensively by means of first-principles density functional theory and a random structure-searching method. Three metallic structures with P-1, Pm-3m, and C2/c symmetries are found, which are more stable than those of XY(3)-type candidates under high pressure. Enthalpy calculations suggest a remarkably wide decomposition (Si and H(2)) pressure range below 135 GPa, above which three metallic structures are stable. Perturbative linear-response calculations for Pm-3m disilane at 275 GPa show a large electron-phonon coupling parameter lambda of 1.397 and the resulting superconducting critical temperature beyond the order of 10(2) K.
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China.
authors.forename: Xilian
authors.initials: X
authors.lastname: Jin
authors.forename: Xing
authors.initials: X
authors.lastname: Meng
authors.forename: Zhi
authors.initials: Z
authors.lastname: He
authors.forename: Yanming
authors.initials: Y
authors.lastname: Ma
authors.forename: Bingbing
authors.initials: B
authors.lastname: Liu
authors.forename: Tian
authors.initials: T
authors.lastname: Cui
authors.forename: Guangtian
authors.initials: G
authors.lastname: Zou
authors.forename: Ho-Kwang
authors.initials: HK
authors.lastname: Mao