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We present density functional theory (DFT) calculations and a full set of X-ray spectra (resonant inelastic X-ray scattering and X-ray photoelectron spectra) measurements of single crystal CaFe2As2. The experimental valence band spectra are…
We revisit the electronic structure of BaFe$_2$As$_2$, the archetypal parent compound of the Fe-based superconductors, using angle-resolved photoemission spectroscopy (ARPES). Our high-resolution measurements of samples detwinned by the…
We report on doping dependencies of structural parameters and superconducting transition temperatures in the solid solution (Ba1-xKx)Fe2As2. As the main effect of doping on the crystal structure, we find linear decreasing As-Fe-As bond…
Very recently, as an important step in the development of layered Fe-free pnictide-oxide superconductors, the new phase BaTi2Bi2O was discovered which has the highest TC (about 4.6 K) among all related non-doped systems. In this Letter, we…
Electronic structure calculations are presented for KCo$_2$As$_2$ and alloys with KFe$_2$As$_2$ and KRu$_2$As$_2$. These materials show electronic structures characteristic of coherent alloys, with a similar Fermi surface structure to that…
The isovalent-substituted iron-pnictide superconductor SrFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$ ($x$=0.35) has a slightly higher optimum critical temperature than the similar system BaFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$, and its parent compound…
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…
High resolution angle-resolved photoemission measurements have been carried out to study the superconducting gap in the (Ba0.6K0.4)Fe2As2 superconductor with Tc=35 K. Two hole-like Fermi surface sheets around the G(0,0) point exhibit…
We report high-resolution, bulk Compton scattering measurements unveiling the Fermi surface of an optimally-doped iron-arsenide superconductor, Ba(Fe$_{0.93}$Co$_{0.07}$)$_2$As$_2$. Our measurements are in agreement with first-principles…
The electronic structure of the intercalated iron-based superconductor Ba2Ti2Fe2As4O (Tc - 21.5 K) has been investigated by using angle-resolved photoemission spectroscopy and combined local density approximation and dynamical mean field…
The electronic structures of FeAs-compounds strongly depend on the Fe-As bonding, which can not be described successfully by the local density approximation (LDA). Treating the multi-orbital fluctuations from $ab$-$initio$ by LDA+Gutzwiller…
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 local structure of superconducting single crystals of K0.8Fe1.6+xSe2 with Tc = 32.6 K was studied by x-ray absorption spectroscopy. Near-edge spectra reveal that the average valence of Fe is 2+. The room temperature structure about the…
We review a variety of theoretical and experimental results concerning electronic band structure of superconducting materials based on FeSe monolayers. Three type of systems are analyzed: intercalated FeSe systems A_xFe_2Se_{2-x}S_x 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…
The temperature dependence of in plane optical conductivity has been investigated for Ca0.86Pr0.14Fe2As2 which shows a structural transition from tetragonal (T) to collapsed tetragonal(cT) phase at TcT=73 K. Upon entering the cT phase,…
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.…
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 an angle-resolved photoemission study of BaFe2As2, a parent compound of iron-based superconductors. Low-energy tunable excitation photons have allowed the first observation of a saddle-point singularity at the Z point, as well as…
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…