Related papers: Optical Properties and Correlation Effects in NaxC…

We calculate the effective trigonal crystal field Delta which splits the t2g levels of effective models for NaxCoO2 as the local symmetry around a Co ion is reduced from Oh to D3d. To this end we solve numerically a CoO6 cluster containing…

Exchange couplings are calculated for Li2VOSiO4 using LDA. While the sum of in-plane couplings J_1 + J_2 = 9.5 \pm 1.5 K and the inter-plane coupling J_{perp} \sim 0.2 - 0.3 K agree with recent experimental data, the ratio J_2/J_1 \sim 12…

The t2g quasi-particle spectra of Na_0.3CoO_2 are calculated within the dynamical mean field theory. It is shown that as a result of dynamical Coulomb correlations charge is transfered from the nearly filled e_g' subbands to the a_1g band,…

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…

Measurements of polarization and temperature dependent soft x-ray absorption have been performed on Na_xCoO_2 single crystals with x=0.4 and x=0.6. They show a deviation of the local trigonal symmetry of the CoO_6 octahedra, which is…

Core-level spectra of 1s electrons of elements heavier than Ne show significant relativistic effects. We combine advances in orbital optimized DFT (OO-DFT) with the spin-free exact two-component (X2C) model for scalar relativistic effects,…

We study the spectral density of electrons rho in an interacting quantum dot (QD) with a hybridization lambda to a non-interacting QD, which in turn is coupled to a non-interacting conduction band. The system corresponds to an impurity…

K$_x$CoO$_2$ shares many similarities with Na$_x$CoO$_2$, as well as some important differences (no hydration-induced superconductivity has been reported). At $T_{c2}$=20 K, K$_{0.5}$CoO$_2$ becomes an insulator with a tiny optical gap as…

A resonant inelastic x-ray scattering (RIXS) study of overdamped spin-excitations in slightly underdoped La$_{2-x}$Sr$_{x}$CuO$_4$ (LSCO) with $x=0.12$ and $0.145$ is presented. Three high-symmetry directions have been investigated: (1) the…

X-ray absorption spectra on the overdoped high-temperature superconductors Tl_2Ba_2CuO_{6+delta} (Tl-2201) and La_{2-x}Sr_xCuO_{4+delta} (LSCO) reveal a striking departure in the electronic structure from that of the underdoped regime. The…

We present local structural evidence supporting the presence of charge inhomogeneities in the CuO2 planes of underdoped La2-xSrxCuO4. High-resolution atomic pair distribution functions have been obtained from neutron powder diffraction data…

The dielectric function of alpha'-Na(1-x)Ca(x)V2O5 (0 < x < 20%) was measured for the a and b axes in the photon energy range 0.8-4.5 eV at room temperature. By varying the Ca-concentration we control the relative abundancy of V4+ and V5+.…

We present the cationic impurity assisted band offset phenomena in NixCd1-xO (x= 0, 0.02, 0.05, 0.1, 0.2, 0.4, 0.8, 1) thin films and further discussed in the light of orbital hybridization modification. Compositional and structural studies…

To elucidate the low-energy excitation spectrum of correlated electrons on a 2D triangular lattice, we have studied the electrical resistance and specific heat down to 0.5 K and in magnetic fields up to 14 T, in NaxCoO2 samples with a Na…

Using first-principles electronic structure calculations, we have extensively studied the electronic and magnetic properties of alkali sodium superoxide (NaO2) in comparison with that of potassium superoxide (KO2) both at high and low…

We analyze the normal electronic states of Na$_{0.35}$CoO$_2$ based on the multi-orbital Hubbard model using the FLEX approximation. The fundamental electronic property of this system is drastically changed by the presence or absence of the…

We report neutron powder diffraction measurements on a series of NaxCoO2 samples with x near 0.75 which were prepared under different synthesis conditions. Two different crystal structures for the samples are observed at room temperature.…

The doping and temperature dependent optical conductivity spectra of the quasi-two-dimensional Ca_{2-x}Sr_xRuO_4 (0.0=<x=<2.0) system were investigated. In the Mott insulating state, two electron correlation-induced peaks were observed…

Optical absorption spectra of nanocrystalline cupric oxide CuO samples, obtained using the converging spherical shock wave procedure, reveal significant spectral weight red-shift as compared with spectra of single crystalline CuO samples.…

Electronic structures and optical properties of C-N-codoped anatase TiO2 were calculated by using GGA+U method based on the density functional theory. The calculated results showed that the N-doped, C-doped, and C-N-codoped TiO2 produced 2p…