Related papers: Correlated electronic structure of LaOFeAs
State-of-the-art quantum chemical methods are applied to the study of the multiorbital correlated electronic structure of a Fe-As compound, the recently discovered LiFeAs. Our calculations predict a high-spin, S=2, ground-state…
High-resolution and high-flux neutron as well as X-ray powder-diffraction experiments were performed on the oxypnictide series LaO(1-x)FxFeAs with 0<x<0.15 in order to study the crystal and magnetic structure. The magnetic symmetry of the…
A hallmark of the iron-based superconductors is the strong coupling between magnetic, structural and electronic degrees of freedom. However, a universal picture of the normal state properties of these compounds has been confounded by recent…
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…
The iron-based pnictide LaFe2As2 is not superconducting as-synthesized, but it becomes such below Tc around 12 K upon annealing, as a consequence of a structural transition from a phase with collapsed tetragonal crystal structure to an…
The similarity of the electronic structures of NaFeAs and other Fe pnictides has been demonstrated on the basis of first-principle calculations. The global double-degeneracy of electronic bands along X-M and R-A direction indicates the…
The optical properties of the superconducting single crystal Rb$_{0.8}$Fe$_{1.68}$Se$_2$ with $T_{c}$ $\simeq$ 31 K have been measured over a wide frequency range in the $ab$ plane. We found that the optical conductivity is dominated by a…
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…
The attempt to understand cuprate superconductors is complicated by the presence of multiple strong interactions. While many believe that antiferromagnetism is important for the superconductivity, there has been revived interest in the role…
$\alpha$-FeSe, a prototype iron-chalcogenide superconductor, shows clear signatures of a strange incoherent normal state. Motivated thereby, we use LDA+DMFT to show how strong multi-band correlations generate a low-energy pseudogap in the…
Resistive and magnetization properties have been measured in BiS$_2$-based samples CeO$_{1-x}$F$_{x}$BiS$_{2}$ with a systematic substitution of O with F (0 $<$ x $<$ 0.6). In contrast to the band structure calculations, it is found that…
The Yang-Mills description of phonons and the consequent structure of electron liquids in strongly anharmonic crystals such as metal oxides is shown to yield an attractive electron-phonon interaction, and thus an instability towards the…
Ultra-thin FeAs is of interest both as the active component in the newly identified pnictide superconductors, and in spintronic applications at the interface between ferromagnetic Fe and semiconducting GaAs. Here we use first-principles…
The electronic and magnetic properties of the new hydride superconductor CaFeAsH, which superconducts up to 47 K when electron-doped with La, and the isovalent alloy system CaFeAsH$_{1-x}$F$_x$ are investigated using density functional…
We report a theoretical study of the effects of electron correlations and structural confinement on the electronic properties and magnetic state of LaNiO3 (LNO) thin films epitaxially deposited on the (001) LaAlO3 (LAO) substrate. Using the…
Theory of superconductivity generated in one atomic layer thick two dimensional electron gas by a single flat band of high energy longitudinal optical phonons is considered. The polar dielectric $SrTiO_{3}$ (STO) exhibits such an energetic…
The local lattice structure in newly discovered LaFeAsO1-xFx superconductors is studied by extended x-ray absorption fine structure measurements. An anomalous upturn of the mean-square relative displacement of the Fe-As bond is detected…
We investigate the electronic structure of (Sr$_{1-x}$La$_x$)$_2$RhO$_4$ using a combination of the density functional and dynamical mean-field theories. Unlike the earlier local density approximation plus Hubbard $U$ (LDA+U) studies, we…
Diamagnetic susceptibility measurements under high hydrostatic pressure (up to 1.03 GPa) were carried out on the newly discovered Fe-based superconductor LaO_{1-x}F_{x}FeAs(x=0.11). The transition temperature T_c, defined as the point at…
We study LiFeP, LiFeAs and NaFeAs in their paramagnetic metallic phase including dynamical electronic correlations within a density functional theory + slave-spin mean-field framework. The three compounds are found to lie next to the…