Phonon spectra and superconductivity of the BiS2-based compounds LaO1−xFxBiS2
1 National Laboratory of Solid State Microstructures and Department of Materials Science and Engineering, Nanjing University - Nanjing 210093, China
2 Departement of Physics, Nanjing Normal University - Nanjing 210046, China
Received: 17 October 2012
Accepted: 29 January 2013
Using the density-functional perturbation theory with structural optimization, we investigate the electronic structure, phonon spectra, and superconductivity of the BiS2-based layered compounds LaO1−xFxBiS2. For LaO0.5F0.5BiS2, the calculated electron-phonon coupling constant is equal to λ = 0.8, and the obtained Tc ≃ 9.1 K is very close to its experimental value, indicating that it is a conventional electron-phonon superconductor.
PACS: 74.20.Pq – Electronic structure calculations / 74.25.Kc – Phonons / 63.20.kd – Phonon-electron interactions
© EPLA, 2013