Related papers: Electronic States in Two-Dimensional Triangular Co…

The electronic states of the FeAs plane in iron-based superconductors are investigated on the basis of the two-dimensional 16-band d-p model, where the tight-binding parameters are determined so as to fit the band structure obtained by the…

The nature of insulating state driven by electronic correlations in the quarter-filled ladder compound $\alpha'$NaV$_{2}$O$_{5}$ is investigated within a cluster dynamical mean-field approach. An extended Hubbard model with first-principle…

We study the electronic structure of electron-doped Pr$_{1.3-x}$La$_{0.7}$Ce$_{x}$CuO$_{4}$ (PLCCO ; $T_{c}$ = 27 K, x = 0.1) and hole-doped Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ (Bi2212 ; $T_{c}$ = 90 K) cuprate superconductors using x-ray…

$^{59}$Co NMR experiments have been performed on single crystals of the layered cobaltate Na$_{x}$CoO$_{2}$ with x=0.77 which is an antiferromagnet with N\'eel temperature $T_{N}=22$~K. In this metallic phase six Co sites are resolved in…

We investigate how two-particle interactions affect the electronic transport through meso- and nanoscopic systems of two different types: quantum dots with local Coulomb correlations and quasi one-dimensional quantum wires of interacting…

The electronic and magnetic states in doped perovskite cobaltites, (La, Sr)CoO_3, are studied in the numerically exact diagonalization method on Co_2O_{11} clusters. For realistic parameter values, it is shown that a high spin state and an…

Current theoretical studies of electronic correlations in transition metal oxides typically only account for the local repulsion between d-electrons even if oxygen ligand p-states are an explicit part of the effective Hamiltonian.…

Density functional calculations are used to investigate the doping dependence of the electronic structure and magnetic properties in hexagonal Na$_x$CoO$_2$. The electronic structure is found to be highly two dimensional, even without…

We study the role of static and dynamical Coulomb correlation effects on the electronic and magnetic properties of individual Mn, Fe and Co adatoms deposited on the CuN surface. For these purposes, we construct a realistic Anderson model,…

Electronic states in boron-nitride and boron-carbon-nitride nanoribbons with zigzag edges are studied using the extended Hubbard model with nearest neighbor Coulomb interactions. The charge and spin polarized states are considered, and the…

The electronic structures, charge and spin dynamics of the cobalt pnictide compounds ACo2As2 (A=Ba, Sr, Ca) in the paramagnetic state are investigated by using density functional theory combined with dynamical mean-field theory. In contrast…

The electronic structure of fluorite crystals are studied by means of density functional theory within the local density approximation for the exchange correlation energy. The ground-state electronic properties, which have been calculated…

We argue that the electronic structure considered in a Phys. Rev. Lett. paper 94 (2005) 146402 of the Co3+ ion in the CoO6 octahedron of NaxCoO2 is completely wrong. The presented Fig. 1 is redrawn here as Fig. 1. For physically adequate…

The study of the strength of correlations in Na$_x$CoO$_2$ is extended to the x=0 end of the phase diagram where Mott insulating behavior has been widely anticipated. Inclusion of correlation as modeled by the LDA+U approach leads to a Mott…

The electronic states of isostructural single-component molecular conductors [M(tmdt)2] (M= Ni, Au, and Cu) are theoretically studied. By considering fragments of molecular orbitals as basis functions, we construct a multiorbital model…

Correlations between electrons and the effective dimensionality are crucial factors that shape the properties of an interacting electron system. For example, the onsite Coulomb repulsion, U, may inhibit, or completely block the intersite…

Here we report the magnetic properties of the layered cobalt oxide system, LixCoO2, in the whole range of Li composition, 0 <= x <= 1. Based on dc-magnetic susceptibility data, combined with results of 59Co-NMR/NQR observations, the…

Strongly interacting electronic systems possess rich phase diagrams resulting from the competition between different quantum ground states. A general mechanism that relieves this frustration is the emergence of microemulsion phases, where…

Analysis of the electronic state of the CuO2 planes of high-Tc materials has been performed with special regard to the influence of the Coulomb interactions separated after moments. Different symmetry breaking effects were revealed. A…

The determination by powder neutron diffraction of the ambient temperature crystal structures of compounds in the NaxCoO2 family, for 0.3 < x <= 1.0, is reported. The structures consist of triangular CoO2 layers with Na ions distributed in…