Related papers: Optical Properties and Correlation Effects in NaxC…
Effects of Coulomb correlation on LaOFeAs electronic structure have been investigated by LDA+DMFT(QMC) method. The calculation results show that LaOFeAs is in the regime of intermediate correlation strength with significant part of the…
We investigate the electronic correlation effects in La$_{2.85}$Pr$_{0.15}$Ni$_2$O$_7$ film grown on SrLaAlO$_4$ by fluctuation-exchange approximation. The $\gamma$ and $\delta$ bands are found to shift down with correlation while their…
We construct an effective Hamiltonian for the motion of t2g highly correlated states in NaxCoO2. This three-band model includes the indirect Co-O-Co hopping t and the crystal-field splitting 3D. Calculations in a CoO6 cluster give the…
Inelastic light-scattering spectra of underdoped ${\rm La_{2-x}Sr_xCuO_4}$ (LSCO) single crystals are presented which provide direct evidence of the formation of quasi one-dimensional charged structures in the two-dimensional $\rm CuO_2$…
In- and out-of-plane optical spectra and specific heat measurements for the single layer cuprate superconductor Hg-1201 at optimal doping (Tc = 97 K) are presented. Both the in-plane and out-of-plane superfluid density agree well with a…
We study the Cu and O spectral density of states and the optical conductivity of CuO_2 planes using an effective generalized one-band Hubbard model derived from the extended three-band Hubbard model. We solve exactly a square cluster of 10…
We present synthetic optical spectra in the range 640-930 nm of a sample of field L dwarfs and the brown dwarf GL229B. Our computations show that Li, Na, K, Rb, and Cs govern the spectra of these objects, with Na and K contributing…
Previous luminescence and absorption experiments in Co-doped ZnO revealed two ionization and one intrashell transition of $d(\textrm{Co}^{2+})$ electrons. Those optical properties are analyzed within the generalized gradient approximation…
We present the results of extended theoretical LDA+DMFT calculations for a new iron-pnictide high temperature superconductor NaFeAs compared with the recent high quality angle-resolved photoemission (ARPES) experiments on this system [1].…
We analyzed photoemssion data for several doping levels of the Bi_2Sr_2CaCu_2O_{8+x} compounds, ranging from overdoped to underdoped. We show that the high frequency part of the spectra near (0,\pi) can be described by Fermi liquid theory…
We have measured soft x-ray photoemission and O 1{\it s} x-ray absorption spectra of Ca$_{1-x}$Sr$_x$RuO$_3$ thin films prepared {\it in situ}. The coherent and incoherent parts have been identified in the bulk component of the…
Cu-based electrocatalysts exhibits enormous potential for electrochemical CO2 conversion to added-value products. However, high selectivity, specially towards C2+ products, remains a critical challenge for its implementation in commercial…
The Raman spectra of the parent compound NaxCoO2 (x=0.75) and the superconducting oxyhydrates NaxCoO2.yH2O with different superconducting temperatures (Tc) have been measured. Five Raman active phonons around 195 cm-1 (E1g), 482 cm-1, 522…
The complex dielectric functions of LiNbO$_2$ were determined using optical transmittance and reflectance spectroscopies at room temperature. The measured dielectric function spectra reveal distinct structures at several bandgap energies.…
We have measured the V 2p3/2 and O 1s x-ray absorption spectra of single crystal V2O5 and V6O13 and compared to linear combinations of atomic orbitals (LCAO) density of states (DOS) calculations. The spectra change dramatically with…
A novel approach to investigation of correlation effects in the electronic structure of magnetic crystals which takes into account a frequency dependence of the self energy (so called ``LDA++ approach'') is developed. The fluctuation…
A systematic study of NaxCoO2 (x=0.50 - 0.90) and NaxCoO2 yH(D)2O (x=0.26 - 0.42, y=1.3) has been performed to determine phase stability and the effect of hydration on the structural and superconducting properties of this system. We show…
The optical spectrum of liquid water is analyzed by subsystem time-dependent density functional theory. We provide simple explanations for several important (and so far elusive) features. Due to the disordered environment surrounding each…
We report ^{59}Co NMR studies in single crystals of cobalt oxide superconductor Na_{0.42}CoO_{2}\cdot1.3H_{2}O (T_c=4.25K) and its parent compound Na_{0.42}CoO_{2}. We find that both the magnitude and the temperature (T) dependence of the…
We present neutron scattering spectra taken from a single crystal of Na0.75CoO2, the precursor to a novel cobalt-oxide superconductor. The data contain a prominent inelastic signal at low energies (~10 meV), which is localized in wavevector…