相关论文: Electronic structure of LaFe1-xCoxAsO from first p…

Here we report the synthesis and basic characterization of LaFe1-xCoxAsO for several values of x. The parent phase LaFeAsO orders antiferromagnetically (TN ~ 145 K). Replacing Fe with Co is expected to both electron dope the system and…

Based on First-principles calculation, we have investigated electronic structure of a ZrCuSiAs structured superconductor LaNiPO. The density of states, band structures and Fermi surfaces have been given in detail. Our results indicate that…

By means of first-principles calculations? we have probed the peculiarities of the elecrtonic band structure and Fermi surface for the recently discovered layered superconductor LaO0.5F0.5BiSi2 in comparison with the parent phase LaOBiO2.…

We have studied the newly found superconductor compound LaO$_{1-x}$F$_x$FeAs through the first-principles density functional theory calculations. We find that the parent compound LaOFeAs is a quasi-2-dimensional antiferromgnetic semimetal…

We investigated the recently found superconductor LaO_{1-x}F_xFeAs by X-ray absorption spectroscopy (XAS). From a comparison of the O K-edge with LDA calculations we find good agreement and are able to explain the structure and changes of…

We have performed the first-principles electronic structure calculation for the novel superconductor Ca4Al2O6Fe2As2 which has the smallest a lattice parameter and the largest As height from the Fe plane among the Fe-As superconductors. We…

Iron arsenide superconductors based on the material LaFeAsO1-xFx are characterized by a two-dimensional Fermi surface (FS) consisting of hole and electron pockets yielding structural and antiferromagnetic transitions at x = 0. Electron…

We report synthesis, structural details and magnetization of SmFe1-xCoxAsO with x ranging from 0.0 to 0.30. It is found that Co substitutes fully at Fe site in SmFeAsO in an iso-structural lattice with slightly compressed cell. The parent…

We compute the electronic structure, momentum resolved spectral function and optical conductivity of the new superconductor LaO$_{1-x}$F$_x$FeAs within the combination of the Density functional theory and the Dynamical Mean Field Theory. We…

Based on first-principles FLAPW-GGA calculation, we have investigated electronic structure of newly discovered oxygen-free 38K superconductor Ba1-xKxFe2As2 in comparison with parent phase - tetragonal ternary iron arsenide BaFe2As2. The…

We report the realization of superconductivity by 5d element Ir doping in LaFeAsO, a prototype parent compound of high-temperature iron based superconductors. X-ray diffraction patterns indicate that the material has formed the…

Here we report the synthesis and basic characterization of SmFe1-xCoxAsO (x=0.10, 0.15). The parent compound SmFeAsO itself is not superconducting but shows an antiferromagnetic order near 150 K, which must be suppressed by doping before…

The comparative study of structural, electronic properties, topology of the Fermi surface, and the features of chemical bonding in layered 1111-oxyarsenides LaRhAsO and LaIrAsO has been performed based on the results of ab initio modeling…

The iron-based LaFeAsO$_{1-x}$F$_x$ recently discovered by Hosono's group is a fresh theoretical challenge as a new class of high-temperature superconductors. Here we describe the electronic structure of the material and the mechanism of…

We report synthesis, structural details and magnetization of SmFe1-xCoxAsO with x ranging from 0.0 to 1.0 at close interval of 0.10. It is found that Co substitutes fully at Fe site in SmFeAsO in an iso-structural lattice with slightly…

We study how Co- and Ni-substitution affect the electronic structure of the iron-based superconductor, LaFeAsO. We perform {\it ab initio} supercell calculations and unfold the first Brillouin zone (BZ) to calculate the spectral function in…

We have synthesized a quaternary fluoroarsenide SrFeAsF with the ZrCuSiAs-type structure (P4/nmm, a = 0.3999 and c = 0.8973 nm), which is composed of an alternately stacked (FeAs)- and (SrF)+ layers, analogous to the FeAs-based…

In this paper we report the comparative study of superconductivity by 3d (Co), 4d (Rh), 5d (Ir) element doping in SmFeAsO. X-ray diffraction patterns indicate that the material has formed the ZrCuSiAs-type structure with a space group…

The electronic structure of nearly optimally-doped novel superconductor LaO$_{1-x}$F$_x$BiS$_2$ (${\it x}$ = 0.46) was investigated using angle-resolved photoemission spectroscopy (ARPES). We clearly observed band dispersions from 2 to 6 eV…

In layered single band systems, the interlayer conductivity depends on the orientation of the in-plane magnetic field and takes maximum values when the magnetic field is perpendicular to flat regions of the Fermi surface. Extending this…