Abstract

With the motivation of discovering high-temperature superconductors, evolutionary algorithm is employed to search for all stable compounds in the Sn-H system. In addition to the traditional SnH4_4, new hydrides SnH8_8, SnH12_{12} and SnH14_{14} are found to be thermodynamically stable at high pressure. Dynamical stability and superconductivity of tin-hydrides are systematically investigated. I4ˉ\bar{4}m2-SnH8_8, C2/m-SnH12_{12} and C2/m-SnH14_{14} exhibit higher superconducting transition temperatures of 81, 93 and 97 K compared to the traditional compound SnH4_4 with Tc_c of 52 K at 200 GPa. An interesting bent H3−_3^- in I4ˉ\bar{4}m2-SnH8_8 and novel liner H4−_4^- in C2/m-SnH12_{12} are observed. All the new tin-hydrides remain metallic over their predicted range of stability. The intermediate-frequency wagging and bending vibrations have more contribution to electron-phonon coupling parameter than high-frequency stretching vibrations of H2_2 and H3_3.

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