Related papers: Electronic structure and resonant inelastic x-ray …
We use inelastic neutron scattering to study the temperature dependence of the spin excitations of a detwinned superconducting YBa$_2$Cu$_3$O$_{6.45}$ ($T_c=48$ K). In contrast to earlier work on YBa$_2$Cu$_3$O$_{6.5}$ ($T_c=58$ K), where…
The electric-current stabilized semi-metallic state in the quasi-two-dimensional Mott insulator Ca$_2$RuO$_4$ exhibits an exceptionally strong diamagnetism. Through a comprehensive study using neutron and X-ray diffraction, we show that…
We have investigated the band structure at the $\Gamma$ point of the three-dimensional (3D) topological insulator Bi$_2$Se$_3$ using magneto-spectroscopy over a wide range of energies ($0.55-2.2$\,eV) and in ultrahigh magnetic fields up to…
We determine the electronic structure and phase stability of paramagnetic V$_2$O$_3$ at the Mott-Hubbard metal-insulator phase transition, by employing a combination of an ab initio method for calculating band structures with dynamical…
We report the formation of a non-magnetic band insulator at the isopolar interface between the antiferromagnetic Mott-Hubbard insulator LaTiO3 and the antiferromagnetic charge transfer insulator LaFeO3. By density functional theory…
The temperature dependence of the excitation spectrum in NaOsO$_{\text{3}}$ through its metal-to-insulator transition (MIT) at 410 K has been investigated using resonant inelastic X-ray scattering (RIXS) at the Os L$_{\text{3}}$ edge. High…
The structural, magnetic and electronic properties of transition metal oxides reflect in atomic charge, spin and orbital degrees of freedom. Resonant x-ray scattering (RXS) allows us to perform an accurate investigation of all these…
We present calculated electron excitation spectra for the LaMO_3 series (M=Cr-Ni) obtained within ab-initio band structure calculations for the real geometric and magnetic structures. The calculated results show good agreement with the…
Recent experimental observations of exchange bias in the La$_{0.67}$Sr$_{0.33}$MnO$_{3}$/LaAlO$_{3}$/SrTiO$_{3}$ heterostructure, which lacks an intrinsic antiferromagnetic layer, have sparked theoretical investigations into the underlying…
We analyze resonant inelastic x-ray scattering (RIXS) at the Cu K edge in a typical orbital-ordered compound KCuF3 on the basis of a microscopic theory. Spectral shape and its dependence on polarization direction and momentum transfer of…
We investigate the core level spectra of Ca(1-x)Sr(x)RuO(3) employing high resolution photoemission spectroscopy. Sample surface appears to be dominated by the contributions from Ru-O layers. Sr 3p core level spectra are sharp and…
We report a study of spin waves in hole-doped ferromagnetic La7/8Sr1/8MnO3, in the metallic state (165K) below TC (181K) and through the puzzling metal-insulator transition which occurs at TO'O''=159K. They reveal very unusual excitations.…
Our success in description of recent electron-spin-resonance results on Mott insulator LaCoO3, Phys. Rev. B 67 (2003) 172401, lies in taking into account strong electron correlations among d electrons and the relativistic spin-orbit…
Clusters of single spins form the relevant spin entities in the formation of long-range magnetic order in spin cluster Mott insulators. Such type of spin order bears resemblance to molecular crystals, and we therefore may expect a…
A comparative resonant inelastic x-ray scattering (RIXS) study of three well-known Kitaev materials is presented: $\alpha$-Li$_2$IrO$_3$, Na$_2$IrO$_3$, and $\alpha$-RuCl$_3$. Despite similar low-energy physics, these materials show…
The changes in the electronic structure of V2O3 across the metal-insulator transition induced by temperature, doping and pressure are identified using high resolution x-ray absorption spectroscopy at the V pre K-edge. Contrary to what has…
As a recently-identified Mott system, PbCrO3 remains largely unexplored, especially for its band structure, leading to many contentious issues on its structural, electronic, and magnetic properties. Here we present a comprehensive study of…
The orbital, lattice, and spin ordering phenomena in KCuF3 are investigated by means of LDA+U calculations, based on ab-initio pseudopotentials.We examine the Cu-3d orbital ordering and the associated Jahn-Teller distortion in several…
Novel ground states might be realized in honeycomb lattices with strong spin-orbit coupling. Here we study the electronic structure of ${\alpha}$-RuCl$_3$, in which the Ru ions are in a d5 configuration and form a honeycomb lattice, by…
Three fundamentally different electronic structures for 3d electron states in LaCoO3, discussed in the current literature, have been presented. We are in favour of the localized electron atomic- like approach that yields the discrete energy…