Electron-Phonon Superconductivity in LaO0.5_{0.5}F0.5_{0.5}BiSe2_{2}

preprint2014arXivOpen access

Abstract

We report density functional calculations of the electronic structure, Fermi surface, phonon spectrum and electron--phonon coupling for newly discovered superconductor LaO0.5_{0.5}F0.5_{0.5}BiSe2_{2}. Significant similarity between LaO0.5_{0.5}F0.5_{0.5}BiS2_{2} and LaO0.5_{0.5}F0.5_{0.5}BiSe2_{2} is found, i.e. there is a strong Fermi surface nesting at (ππ,ππ,0), which results in unstable phonon branches. Combining the frozen phonon total energy calculations and an anharmonic oscillator model, we find that the quantum fluctuation prevents the appearance of static long--range order. The calculation shows that LaO0.5_{0.5}F0.5_{0.5}BiSe2_{2} is highly anisotropic, and same as LaO0.5_{0.5}F0.5_{0.5}BiS2_{2}, this compound is also a conventional electron-phonon coupling induced superconductor.

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