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Register a new userLattice Dynamics of LaFeAsO_{1-x}F_{x} and PrFeAsO_{1-y} via Inelastic X-Ray Scattering and First-Principles Calculation
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The lattice dynamics of LaFeAsO_{1-x}F_{x} (x=0, 0.1) and PrFeAsO_{1-y} (y~0.1) are investigated using inelastic x-ray scattering and ab-initio calculation. Measurements of powder samples provide an approximation to the phonon DOS, while dispersion is measured from a single crystal of PrFeAsO_{1-y}. A model that agrees reasonably well with all of the data at room temperature is built from results of ab-initio calculations by softening the strength of the Fe-As bond by 30%.
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We report an inelastic x-ray scattering investigation of phonons in FeSe superconductor. Comparing the experimental phonon dispersion with density functional theory (DFT) calculations in the non-magnetic state, we found a significant disagreement between them. Improved overall agreement was obtained by allowing for spin-polarization in the DFT calculations, despite the absence of magnetic order in the experiment. This calculation gives a realistic approximation, at DFT level, of the disordered paramagnetic state of FeSe, in which strong spin fluctuations are present.
We have measured element-specific Fe-phonon densities of states (Fe-PDOS) of LaFeAsO_{1-x}F_{x} (x = 0, 0.11) and La_{1-x}Ca_{x}FePO (x = 0.13) by using nuclear resonant inelastic scattering of synchrotron radiation. The Fe-PDOS of superconductor LaFeAsO_{0.89}F_{0.11} (Tc = 26 K) and that of non-superconductor LaFeAsO have similar structures to both below Tc (15 K) and above Tc (298 K) and, therefore, fluorine doping does not have notable effect on the Fe-PDOS. As for the superconductor La_{0.87}Ca_{0.13}FePO (Tc = 5.4K), the entire structure of Fe-PDOS resembles with that of LaFeAsO_{1-x}F_{x}, but the energy of the highest peak is higher than that of LaFeAsO_{1-x}F_{x}. These peaks are attributed to vibrational modes between Fe and pnicogen (As and P) and the temperature-dependent energy shifts are observed for LaFeAsO_{1-x}F_{x}. Observed Fe-PDOS of LaFeAsO_{1-x}F_{x} agrees well with an previously calculated Fe-PDOS spectrum with a first-principles calculation and shows the structural resemblance with an calculated Eliashberg function #alpha^2F(x) giving small electron-phonon coupling. Therefore, our results indicate that phonons are not the main contributors to the Tc superconductivity of LaFeAsO_{1-x}F_{x}. From the experimental viewpoint, comparison of our observed Fe-PDOS and an experimentally obtained bosonic glue spectrum will be an important clue as to whether phonons are the main contributors to superconductivity in iron-pnictide superconductors.
We report the theoretical study of the flux-lattice melting in the novel iron-based superconductor $LaO_{0.9}F_{0.1}FeAs$ and $LaO_{0.925}F_{0.075}FeAs$. Using the Hypernetted-Chain closure and an efficient algorithm, we calculate the two-dimensional one-component plasma pair distribution functions, static structure factors and direct correlation functions at various temperatures. The Hansen-Verlet freezing criterion is shown to be valid for vortex-liquid freezing in type-II superconductors. Flux-lattice meting lines for $LaO_{0.9}F_{0.1}FeAs$ and $LaO_{0.925}F_{0.075}FeAs$ are predicted through the combination of the density functional theory and the mean-field substrate approach.
Hydrostatic pressure Raman measurements have been carried out on the SmFeAsO series of oxypnictides with varying amount of doping (F substitution for O and Co for Fe) and transition temperature (T_{c}), in order to investigate lattice modifications and their connection to doping and superconductivity. Synchrotron XRD data on some of these compounds indicated that at low doping the lattice constants vary smoothly with pressure, but with increasing F concentration there is a deviation from the normal equation of state and these effects are related with modifications in the superconducting FeAs4 tetrahedra. The hydrostatic pressure Raman measurements show that the A1g mode of the rare earth atom for the superconducting compounds deviates from the linear pressure dependence at the same pressures where the XRD results indicate pressure-induced lattice anomalies. A similar anomaly is found for the As phonon of same symmetry. As in cuprates, the effect is diminished in the undoped compounds and it is not related with the F substitution being present in the Sm(Fe_{1-x}Co_{x})AsO as well. The calculated Gruneisen parameter for the Sm phonon ({gamma approx}1.5) is very similar to the corresponding values of cuprates and it does not vary with doping. For the Fe mode it has higher value ({gamma approx}1.8) than for As ({gamma approx}1) indicating a more anharmonic phonon.
Nuclear magnetic resonance (NMR) measurements of an iron (Fe)-based superconductor LaFeAsO_{1-x}F_x (x = 0.08 and 0.14) were performed at ambient pressure and under pressure. The relaxation rate 1/T_1 for the overdoped samples (x = 0.14) shows T-linear behavior just above T_c, and pressure application enhances 1/T_1T similar to the behavior of T_c. This implies that 1/T_1T = constant originates from the Korringa relation, and an increase in the density of states at the Fermi energy D(E_F) leads to the enhancement of T_c. In the underdoped samples (x = 0.08), 1/T_1T measured at ambient pressure also shows T-independent behavior in a wide temperature range above T_c. However, it shows Curie-Weiss-like T dependence at 3.0 GPa accompanied by a small increase in T_c, suggesting that predominant antiferromagnetic fluctuation suppresses development of superconductivity or remarkable enhancement of T_c. The qualitatively different features between underdoped and overdoped samples are systematically explained by a band calculation with hole and electron pockets.
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