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Register a new userElectron-Phonon Superconductivity in LaO$_{0.5}$F$_{0.5}$BiSe$_{2}$
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We report density functional calculations of the electronic structure, Fermi surface, phonon spectrum and electron--phonon coupling for newly discovered superconductor LaO$_{0.5}$F$_{0.5}$BiSe$_{2}$. Significant similarity between LaO$_{0.5}$F$_{0.5}$BiS$_{2}$ and LaO$_{0.5}$F$_{0.5}$BiSe$_{2}$ is found, i.e. there is a strong Fermi surface nesting at ($pi $,$pi $,0), which results in unstable phonon branches. Combining the frozen phonon total energy calculations and an anharmonic oscillator model, we find that the quantum fluctuation prevents the appearance of static long--range order. The calculation shows that LaO$_{0.5}$F$_{0.5}$BiSe$_{2}$ is highly anisotropic, and same as LaO$_{0.5}$F$_{0.5}$BiS$_{2}$, this compound is also a conventional electron-phonon coupling induced superconductor.
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F-doped LaOBiSe$_{2}$ superconducting single crystals with typical size of 2$times$4$times$0.2 mm$^{3}$ are successfully grown by flux method and the superconducting properties are studied. Both the superconducting transition temperature and the shielding volume fraction are effectively improved with fluorine doping. The LaO$_{0.48}$F$_{0.52}$BiSe$_{1.93}$ sample exhibits zero-resistivity at 3.7 K, which is higher than that of the LaO$_{0.5}$F$_{0.5}$BiSe$_{2}$ polycrystalline sample (2.4K). Bulk superconductivity is confirmed by a clear specific-heat jump at the associated temperature. The samples exhibit strong anisotropy and the anisotropy parameter is about 30, as estimated by the upper critical field and effective mass model
We discuss the electronic structure, lattice dynamics and electron-phonon interaction of newly discovered superconductor LaO$_{0.5}$F$_{0.5}$BiS$_{2}$ using density functional based calculations. A strong Fermi surface nesting at $mathbf{k}$=($pi $,$pi $,0) suggests a proximity to charge density wave instability and leads to imaginary harmonic phonons at this $mathbf{k}$ 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 $lambda simeq 0.85$ prompting this material to be a conventional superconductor contrary to structurally similar FeAs materials.
We present a neutron scattering study of phonons in single crystals of (Pb$_{0.5}$Sn$_{0.5}$)$_{1-x}$In$_x$Te with $x=0$ (metallic, but nonsuperconducting) and $x=0.2$ (nonmetallic normal state, but superconducting). We map the phonon dispersions (more completely for $x=0$) and find general consistency with theoretical calculations, except for the transverse and longitudinal optical (TO and LO) modes at the Brillouin zone center. At low temperature, both modes are strongly damped but sit at a finite energy ($sim4$ meV in both samples), shifting to higher energy at room temperature. These modes are soft due to a proximate structural instability driven by the sensitivity of Pb-Te and Sn-Te $p$-orbital hybridization to off-center displacements of the metal atoms. The impact of the soft optical modes on the low-energy acoustic modes is inferred from the low thermal conductivity, especially at low temperature. Given that the strongest electron-phonon coupling is predicted for the LO mode, which should be similar for both studied compositions, it is intriguing that only the In-doped crystal is superconducting. In addition, we observe elastic diffuse (Huang) scattering that is qualitatively explained by the difference in Pb-Te and Sn-Te bond lengths within the lattice of randomly distributed Pb and Sn sites. We also confirm the presence of anomalous diffuse low-energy atomic vibrations that we speculatively attribute to local fluctuations of individual Pb atoms between off-center sites.
We use neutron scattering, to study magnetic excitations in crystals near the ideal superconducting composition of FeTe$_{0.5}$Se$_{0.5}$. Two types of excitations are found, a resonance at (0.5, 0.5, 0) and incommensurate fluctuations on either side of this position. We show that the two sets of magnetic excitations behave differently with doping, with the resonance being fixed in position while the incommensurate excitations move as the doping is changed. These unusual results show that a common behavior of the low energy magnetic excitations is not necessary for pairing in these materials.
NdO$_{0.5}$F$_{0.5}$BiS$_{2}$ is a new layered superconductor. We have studied the low-lying electronic structure of a single crystalline NdO$_{0.5}$F$_{0.5}$BiS$_{2}$ superconductor, whose superconducting transition temperature is 4.87K, with angle-resolved photoemission spectroscopy. The Fermi surface consists of two small electron pockets around the X point and shows little warping along the $k_z$ direction. Our results demonstrate the multi-band and two-dimensional nature of the electronic structure. The good agreement between the photoemission data and the band calculations gives the renormalization factor of 1, indicating the rather weak electron correlations in this material. Moreover, we found that the actual electron doping level and Fermi surface size are much smaller than what are expected from the nominal composition, which could be largely explained by the bismuth dificiency. The small Fermi pocket size and the weak electron correlations found here put strong constraints on theory, and suggest that the BiS$_2$-based superconductors could be conventional BCS superconductors mediated by the electron-phonon coupling.
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