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**ABSTRACT:**We discuss the electronic structure, lattice dynamics, and electron-phonon interaction of the newly discovered superconductor LaO0.5F0.5BiS2 using density-functional-based calculations. A strong Fermi surface nesting at k=(π,π,0) suggests a proximity to charge-density-wave instability and leads to imaginary harmonic phonons at this k point associated with in-plane displacements of S atoms. Total energy analysis resolves only a shallow double-well potential well preventing the appearance of static long-range order. Both harmonic and anharmonic contributions to electron-phonon coupling are evaluated and give a total coupling constant λ≃0.85, prompting this material to be a conventional superconductor contrary to structurally similar FeAs materials.Physical review. B, Condensed matter 03/2013; 87(11). · 3.66 Impact Factor - [Show abstract] [Hide abstract]

**ABSTRACT:**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.EPL (Europhysics Letters) 02/2013; 101(4):47002. · 2.27 Impact Factor - [Show abstract] [Hide abstract]

**ABSTRACT:**Resistive and magnetic properties have been measured in BiS2-based samples CeO1-xFxBiS2 with a systematic substitution of O with F (0<x<0.6). In contrast to the band-structure calculations, it is found that the parent phase of CeOBiS2 is a bad metal instead of a band insulator. By doping electrons into the system, it is surprising to find that superconductivity appears together with a semiconducting normal state. This evolution is clearly different from the cuprate and the iron pnictide systems, and is interpreted as approaching the Pomeranchuk transition with a von Hove singularity and the possible charge-density-wave instability. Furthermore, ferromagnetism, which may arise from the Ce magnetic moments, has been observed in the low-temperature region in all samples, suggesting the coexistence of superconductivity and ferromagnetism in the superconducting samples.Physical review. B, Condensed matter 12/2012; · 3.66 Impact Factor

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