Abstract
We report density functional calculations of the electronic structure, Fermi surface, phonon spectrum and electron-phonon coupling for the newly discovered superconductor LaO0.5F0.5BiSe2. It is confirmed that there is a strong Fermi surface nesting at (π,π,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 LaO0.5F0.5BiSe2 is highly anisotropic, and same as its cousin LaO0.5F0.5BiS 2, this compound is also a conventional electron-phonon coupling induced superconductor.
| Original language | English |
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| Article number | 233901 |
| Journal | Journal of Applied Physics |
| Volume | 115 |
| Issue number | 23 |
| DOIs | |
| State | Published - 21 Jun 2014 |