Related papers: Quantum Critical Behavior and Possible Triplet Sup…
The electronic structure of the La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) system has been studied by angle-resolved photoemission spectroscopy (ARPES). We report on the evolution of the Fermi surface, the superconducting gap and the band dispersion…
BaFe$_2$As$_2$ with transition-metal doping exhibits a variety of rich phenomenon from coupling of structure, magnetism, and superconductivity. Using density functional theory, we systematically compare the Fermi surfaces (FS), formation…
Engineered $Na_{0.75}CoO_2$ is considered a prime candidate to achieve high-efficiency thermoelectric systems to regenerate electricity from waste heat. In this work, three elements with outmost electronic configurations, (1) an open d…
The van-der-Waals gap of iron chalcogenide superconductors can be intercalated with a variety of inorganic and organic compounds that modify the electron doping level of the iron layers. In Lix(C3N2H10)0.37FeSe, a dome in the…
We theoretically investigate inhomogeneity effects on the charges, electric field gradients and site-projected densities of states in HgBa$_2$CuO$_{4+\delta}$. We find pronounced differences in the doping-induced number of holes at…
We present a theoretical investigation of the effects of correlations on the electronic structure of the Mott insulator Sr$_2$IrO$_4$ upon electron doping. A rapid collapse of the Mott gap upon doping is found, and the electronic structure…
Single crystalline CaFe2As2 and (Ca1-xNax)Fe2As2 polycrystals (0 < x < 0.66) are synthesized and characterized using structural, magnetic, electronic transport, and heat capacity measurements. These measurements show that the…
Employing the four-band tight-binding model we study theoretically the doping dependence of the spin response in the normal state of novel Fe-based pnictide superconductors. We show that the commensurate spin density wave (SDW) transition…
Results of the first principles study on the electronic structure and magnetism of the superconducting weak ferromagnet Y$_4$Co$_3$, are presented. Using the full potential Korringa-Kohn-Rostoker (FP-KKR) method, densities of states,…
We report density functional calculations of electronic structure and magnetic properties of ternary iron chalcogenide TlFe$_{2}$Se$_{2}$, which occurs in the ThCr$_{2}$Si$_{2}$ structure and discuss the results in relation to the…
We preform a multi-orbital analysis on the novel superconductivity in Na_{x}CoO_{2} \cdot yH_{2}O. We construct a three-orbital model which reproduces the band structure expected from the LDA calculation. The effective interaction leading…
We investigate the electronic states and the transport properties of the CoO2 plane in NaxCoO2 on the basis of the two-dimensional triangular lattice 11-band d-p model by using the fluctuation exchange approximation, where we consider the…
We investigate superconductivity that may exist in the doped BaCoSO, a multi-orbital Mott insulator with a strong antiferromagnetic ground state. The superconductivity is studied in both t-J type and Hubbard type multi-orbital models by…
The low temperature dependence of the spin and charge susceptibilities of an anisotropic electron system in two dimensions is analyzed. It is shown that the presence of inflection points at the Fermi surface leads, generically, to a $ T…
Effects of electron correlation on the Fermi surface is investigated for the two-dimensional Hubbard model by the quantum Monte Carlo method. At first, an infinitesimal doping from the half filling is focused on and the momentum dependent…
Electronic structure calculations are used to analyze the electronic and magnetic properties in {K$_{2}$Fe$_{4+x}$Se$_{5}$}. Fe atoms can be divided into two distinct groups. The $x{=}0$ (parent) compound forms an insulating, collinear,…
Superconducting SrTiO_{3-\delta} was obtained by annealing single crystalline SrTiO_3 samples in ultra high vacuum. An analysis of the V(I) characteristics revealed very small critical currents I_c which can be traced back to a unavoidable…
Recent experimental work has realized a new insulating state of samarium nickelate (SmNiO$_3$), accessible in a reversible manner via high-density electron doping. To elucidate this behavior, we use the first-principles density functional…
The three-dimensional Fermi surface structure of hole-doped metallic layered nickelate Eu2-xSrxNiO4 (x=1.1), an important counterpart to the isostructural superconducting cuprate La2-xSrxCuO4, is investigated by energy-dependent soft-x-ray…
The electronic shell and supershell structure of triangular graphene quantum dots has been studied using density functional and tight-binding methods. The density functional calculations demonstrate that the electronic structure close to…