相关论文: Correlation effects in CaCu3Ru4O12

The electronic structure of BaFe2As2 doped with Co, Ni, and Cu has been studied by a variety of experimental and theoretical methods, but a clear picture of the dopant 3d states has not yet emerged. Herein we provide experimental evidence…

We report single crystal growth and magnetic susceptibility and neutron diffraction studies of the S=1/2 quasi-1D antiferromagnet CaCu2O3. The structure of this material is similar to that of the prototype two-leg spin-ladder compound…

We show that the valence electrons of Ba3NaRu2O9, which has a quasi-molecular structure, completely crystallize below 210 K. Using an extended Hubbard model, we show that the charge ordering instability results from long-range Coulomb…

We study the interlayer pairing states in layered systems of two different 2d electronic subsystems, one with relativistic linear and the other with non-relativistic parabolic spectrum. The complex order parameter of the paired state has a…

We report results of density-functional theory calculations on the structural, magnetic, and electronic properties of (1x1)-structures of Co on Cu(001) for coverages up to two monolayers. In particular we discuss the tendency towards phase…

We consider the effect of the nearest neighbour copper-oxygen repulsion, V, when coupled to the charge transfer resonances Cu2+ to Cu3+ and Cu2+ to Cu+ in the high temperature cuprate superconductors. This is done by deriving effective low…

A quantum-mechanical model of Cu-O-Cu-O four-center four-electron part of the copper-oxide plane embedded in a superconducting crystal La$_{2-x}$Sr$% _{x}$CuO$_{4}$ (LSCO) is considered. It is shown that displacing the nearest-neighbor…

The three-dimensional (3D) electronic structure of the hidden order compound URu$_2$Si$_2$ in a paramagnetic phase was revealed using a 3D angle-resolved photoelectron spectroscopy where the electronic structure of the entire Brillouin zone…

Recently synthesized quadruple perovskite CuCu$_3$Fe$_2$Re$_2$O$_{12}$ possesses strong ferromagnetism and unusual electron properties, including enhanced electronic specific heat. Application of the first principles electronic structure…

The electronic structure and magnetic properties of CaCr$\mathrm{O}_3$ have been calculated by two methods, including hybrid-exchange density-function theory and density-functional theory + $U$. The computed densities of states from both of…

We study the electronic structure of HgBa$_2$Ca$_2$Cu$_3$O$_{8+\delta}$ (Hg1223 ; T$_{c}$ = 134 K) using photoemission spectroscopy (PES) and x-ray absorption spectroscopy (XAS). Resonant valence band PES across the O K-edge and Cu L-edge…

Sr$_2$IrO$_4$ is an extensively studied spin-orbit coupling induced insulator with antiferromagnetic ground state. The delicate balance between competing energy scales plays crucial role for its low temperature phase, and the route of…

Experimental results obtained by using x-ray absorption spectroscopy show that the configurations of Cu sites in the CuO2 plane of Bi 2:2:1:2 high Tc superconductors are not homogeneous. Different Cu sites are characterized by short 0.23 nm…

The interplay between spin-orbit coupling (SOC) and electron correlation ($U$) is considered for many exotic phenomena in iridium oxides. We have investigated the evolution of structural, magnetic and electronic properties in pyrochlore…

The experimental dispersion of the first removal state in the insulating regime of Bi2Sr2Ca1-xYxCu2O8+delta is found to differ significantly from that of other parent materials: oxyclorides and La2CuO4 . For Y-contents of 0.92 > x > 0.55…

Electronic structures for the conduction bands of both hexagonal and orthorhombic LuFeO3 thin films have been measured using x-ray absorption spectroscopy at oxygen K (O K) edge. Dramatic differences in both the spectra shape and the linear…

The spin-orbit split white line, synchrotron X-ray spectra at the respective Cu and Ba L2,3 and Ba M4,5 edges in YBa2Cu3O7 crystal, powders, films and derivatives are compared to those for standard BaBr2 and CuO powders. The white line…

Search for efficient materials for application in the fields of optoelectronics and photovoltaics are active areas of research across the world. The potential of compounds such as K${_3}$Cu${_3}$P${_2}$ is not yet fully realized. Therefore,…

The graphene-graphite relationship in structural geometry is a basic principle to predict novel two-dimensional (2D) materials. Here, we demonstrate that this is not the case in binary metallic systems. We use the Bayesian optimization…

Realistic electronic-structure calculations for correlated Mott insulators are notoriously hard. Here we present an ab initio multiconfiguration scheme that adequately describes strong correlation effects involving Cu 3d and O 2p electrons…