摘要
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.
| 源语言 | 英语 |
|---|---|
| 文章编号 | 233901 |
| 期刊 | Journal of Applied Physics |
| 卷 | 115 |
| 期 | 23 |
| DOI | |
| 出版状态 | 已出版 - 21 6月 2014 |
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