Related papers: Charge transfer model for the electronic structure…
Two models for the superconducting state of Sr2RuO4 have been analyzed. In an "orbital model" the in-plane and out of-plane interactions between electrons on neighboring Ru atoms are assumed to be attractive. In spite of the single particle…
We investigated the electronic structures of the bandwidth-controlled ruthenates, Y$_{2}$Ru$_{2}$O$_{7}$, CaRuO$_{3}$, SrRuO$_{3}$, and Bi$_{2}$Ru$% _{2}$O$_{7}$, by optical conductivity analysis in a wide energy region of 5 meV $\sim $ 12…
Resonant x-ray diffraction performed at the $\rm L_{II}$ and $\rm L_{III}$ absorption edges of Ru has been used to investigate the magnetic and orbital ordering in Ca$_2$RuO$_4$ single crystals. A large resonant enhancement due to electric…
The electronic structure of the CuO monolayer is investigated taking into account the intra- and interatomic Coulomb interactions on copper and oxygen atoms. Local Coulomb interactions and covalence effects are treated exactly when…
The interactions between charge and orbitally ordered $d$-electrons are important in many transition metal oxides. We propose an effective energy model for such interactions, parameterized with DFT+U calculations, so that energy…
We study the electronic states for Ca_{2-x}Sr_{x}RuO_{4} in $0.5\leq x \leq 2$ within the Gutzwiller approximation (GA) on the basis of the three-orbital Hubbard model for the Ru t_{2g} orbitals. The main effects of the Ca substitution are…
The locally self-consistent real space multiple scattering technique has been applied to calculate the electronic structure and chemical binding for the c(2x2)O/Cu(001) system, as a function of $d_{O-Cu1}$ -- the height of oxygen above the…
On the basis of a three orbital model and an effective attractive interaction between electrons we investigate the possible superconducting states, with $p$ and $f$-wave internal symmetry, of Sr$_2$RuO$_4$. For an orbital dependent…
Strontium ruthenate (Sr$_2$RuO$_4$) is a multiband superconductor that displays evidence of topological superconductivity, although a model of the order parameter that is consistent with all experiments remains elusive. We integrated a…
This paper gives a detailed numerical study of the superconducting electronic heat transport in the unconventional multiband superconductor Strontium Ruthenate Sr$_2$RuO$_4$. The study demostrates that a model with different nodal…
A simplified tight-binding description of the electronic structure is often necessary for complex studies of surfaces of transition metal compounds. This requires a self-consistent parametrization of the charge redistribution, which is not…
We study the superconducting state of Sr$_2$RuO$_4$ on the bases of a phenomenological but orbital specific description of the electron-electron attraction and a realistic quantitative account of the electronic structure in the normal…
The collective behavior of correlated electrons in the VO$_2-$interface layer of LaVO$_3$/SrTiO$_3$ heterostructure is studied within a quarter-filled $t_{2g}$-orbital Hubbard model on a square lattice. We argue that the ground state is…
The delicate interplay of electronic charge, spin, and orbital degrees of freedom is in the heart of many novel phenomena across the transition metal oxide family. Here, by combining high- resolution angle resolved photoemission…
We consider the electronic properties of layered molecular crystals of the type theta-D$_2$A, where A is an anion and D is a donor molecule such as BEDT-TTF [where BEDT-TTF is bis-(ethylenedithia-tetrathiafulvalene)] which is arranged in…
The exchange interactions and magnetic structure in layered system CuMnO2 (mineral crednerite) and in nonstoichiometric system Cu1.04Mn0.96O2, with triangular layers distorted due to orbital ordering of the Mn3+ ions, are studied by…
The ruthenate family of layered perovskites has been a topic of intense interest with much work dedicated to understanding the superconducting state of the single layer, Sr$_2$RuO$_4$. Another longstanding puzzle is the lack of…
The Emery model (aka the three-band Hubbard model) offers a simplified description of the copper-oxide planes that form the building blocks of high-temperature superconductors. By contrast with the even simpler one-band Hubbard model, it…
Results of model calculations using exact diagonalization reveal the orbital character of states associated with different Raman loss peaks in Cu $K$-edge resonant inelastic X-ray scattering (RIXS) from La$_{2}$CuO$_{4}$. The model includes…
Interfacial charge transfer is widely assumed to obey Butler-Volmer kinetics. For certain liquid-solid interfaces, Marcus-Hush-Chidsey theory is more accurate and predictive, but it has not been applied to porous electrodes. Here we report…