相关论文: Spectroscopy of the frustrated quantum antiferroma…

The single-layered perovskite Ca$_2$RuO$_4$, characterized by a 4$d^4$ electron configuration, has been studied from first principles using density functional theory (DFT) using the generalized gradient approximation, with inclusion of…

We investigate the electronic and magnetic properties of the frustrated triangular-lattice antiferromagnets Cs$_2$CuCl$_4$ and Cs$_2$CuBr$_4$ in the framework of density functional theory. Analysis of the exchange couplings J and J' using…

We investigate the microscopic model for the frustrated layered antiferromagnets Cs2CuCl4 and Cs2CuBr4 by performing ab initio density functional theory (DFT) calculations and with the help of the tight-binding method. The combination of…

We study theoretically resonant inelastic x-ray scattering (RIXS) at the Cu $L_3$-edge in a typical parent compound of high-$T_c$ cuprate superconductors La$_2$CuO$_4$ on the basis of a detailed electronic band structure. We construct a…

We perform a comprehensive analysis of the bimagnon resonant inelastic x-ray scattering (RIXS) intensity spectra of the spatially frustrated Jx-Jy-J2 Heisenberg model on a square lattice in both the antiferromagnetic and the collinear…

We theoretically analyze the intensity of the resonant inelastic X-ray scattering (RIXS) based on Ansatz that the electron is fractionalized into two components. By fitting the angle resolved photoemission spectroscopy (ARPES) data of a…

We use series expansion methods to study ground- and excited-state properties in the helically ordered phase of spin-1/2 frustrated antiferromagnets on an anisotropic triangular lattice. We calculate the ground state energy, ordering…

We have investigated the local low-energy excitations in CeRu$_4$Sn$_6$, a material discussed recently in the framework of strongly correlated Weyl semimetals, by means of Ce $M_5$ resonant inelastic x-ray scattering (RIXS). The…

The electronic structure of the honeycomb lattice iridates Na2IrO3 and Li2IrO3 has been investigated using resonant inelastic x-ray scattering (RIXS). Crystal-field split d-d excitations are resolved in the high-resolution RIXS spectra. In…

The electronic structure of CuIr$_2$S$_4$ has been investigated using various bulk-sensitive x-ray spectroscopic methods near the Ir $L_3$-edge: resonant inelastic x-ray scattering (RIXS), x-ray absorption spectroscopy in the partial…

The electronic structure of high-quality van der Waals multiferroic CuCrP$_2$S6 crystals was investigated applying photoelectron spectroscopy methods in combination with DFT analysis. Using X-ray photoelectron and near-edge X-ray absorption…

We have investigated the electronic structure of Ba3InIr2O9 within the density-functional theory (DFT) using the generalized gradient approximation while considering strong Coulomb correlations (GGA+$U$) in the framework of the fully…

We report the electronic structure of monoclinic CuO as obtained from first principles calculations utilizing density functional theory plus effective Coulomb interaction (DFT + U) method. In contrast to standard DFT calculations taking…

We use resonant inelastic x-ray scattering (RIXS) at the Cu L$_3$ edge to measure the charge and spin excitations in the "half-stuffed" Cu--O planes of the cuprate antiferromagnet Ba$_2$Cu$_3$O$_4$Cl$_2$. The RIXS line shape reveals…

We report on a systematic study of the magnetic properties on single crystals of the solid solution Cs$_2$CuCl$_{4-x}$Br$_x$ (0 $\leq$ x $\leq$ 4), which include the two known end-member compounds Cs$_2$CuCl$_4$ and Cs$_2$CuBr$_4$,…

Periodic and cluster density-functional theory (DFT) calculations, including DFT+U and hybrid functionals, are applied to study magnetostructural correlations in spin-1/2 frustrated chain compounds CuX2: CuCl2, CuBr2, and a fictitious chain…

We have investigated the electronic structure of Ba4Ir3O10 within the density-functional theory (DFT) using the generalized gradient approximation while considering strong Coulomb correlations (GGA+U) in the framework of the fully…

We explore the general phenomenology of resonant inelastic scattering (RIXS) using CuB2O4, a network of CuO4 plaquettes electronically isolated by B+3 ions. Spectra show a small number of well-separated features, and we exploit the simple…

We present detailed calculations of the magnetic ground state properties of Cs$_2$CuCl$_4$ in an applied magnetic field, and compare our results with recent experiments. The material is described by a spin Hamiltonian, determined with…

The energy spectrum of topological semimetals contains protected degeneracies in reciprocal space that correspond to Weyl, Dirac, or multifold fermionic states. To exploit the unconventional properties of these states, one has to access the…