相关论文: A Wannier orbital based method for resonant inelas…

We analyze resonant x-ray scattering (RIXS) spectra in Na$_2$IrO$_3$ on the basis of the itinerant electron picture. Employing a multi-orbital tight-binding model on a honeycomb lattice, we find that the zigzag magnetic order is the most…

Low-energy electron excitation spectra were measured on a single crystal of a typical iron-based superconductor PrFeAsO$_{0.7}$ using resonant inelastic X-ray scattering (RIXS) at the Fe-$L_3$ edge. Characteristic RIXS features are clearly…

We report the first empirical demonstration that resonant inelastic x-ray scattering (RIXS) is sensitive to \emph{collective} magnetic excitations in $S=1$ systems by probing the Ni $L_3$-edge of La$_{2-x}$Sr$_x$NiO$_4$ ($x = 0, 0.33,…

We present a resonant inelastic x-ray scattering (RIXS) study of spin and charge excitations in overdoped La1.77Sr0.23CuO4 along two high-symmetry directions. The line shape of these excitations is analyzed and they are shown to be highly…

We compute the $K$ and $L_{3}$ -edge resonant inelastic x-ray scattering (RIXS) spectrum of the columnar and the staggered quantum dimer states accessible to the square lattice Heisenberg magnet. Utilizing a bond operator representation…

We theoretically investigate spin dynamics and $L_3$-edge resonant inelastic X-ray scattering (RIXS) of Chromium with commensurate spin-density wave (SDW) order, based on a multi-band Hubbard model composed of 3$d$ and 4$s$ orbitals.…

A recently proposed approach for performing electronic-structure calculations on crystalline insulators in terms of localized orthogonal orbitals is applied to the oxides of lithium and sodium, Li2O and Na2O. Cohesive energies, lattice…

Weakly-nonlinear waves in a layered waveguide with an imperfect interface (soft bonding between the layers) can be modelled using coupled Boussinesq equations. We assume that the materials of the layers have close mechanical properties, in…

We present Ru $L_3$-edge resonant inelastic x-ray scattering (RIXS) measurements of spin-orbit and d-d excitations in exfoliated nanolayers of the Kitaev spin-liquid candidate RuCl$_3$. Whereas the spin-orbit excitations are independent of…

The resonant inelastic x-ray scattering (RIXS) was measured in an insulating SrCuO$_{2}$ with changing the incident photon energy ($h\nu$) near the Cu $1s$ absorption edge (K-edge). Complex structures and their dependences on the momentum…

Resonant inelastic x-ray scattering (RIXS) is a widely used spectroscopic technique, providing access to the electronic structure and dynamics of atoms, molecules, and solids. However, RIXS requires a narrow bandwidth x-ray probe to achieve…

To fully capitalize on the potential and versatility of resonant inelastic x-ray scattering (RIXS), it is essential to develop the capability to interpret different RIXS contributions through calculations, including the dependence on…

Motivated by RIXS experiments on a wide range of complex heavy oxides, including rhenates, osmates, and iridates, we discuss the theory of RIXS for site-localized $t_{2g}$ orbital systems with strong spin-orbit coupling. For such systems,…

We present an approach to calculating the quantum resonances and resonance wave functions of chaotic scattering systems, based on the construction of states localized on classical periodic orbits and adapted to the dynamics. Typically only…

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…

A direct orbital optimization method is presented for density functional calculations of excited electronic states using either a real space grid or a plane wave basis set. The method is variational, provides atomic forces in the excited…

We present a detailed analysis of the incident-photon-energy and polarization dependences of the resonant inelastic x-ray scattering (RIXS) spectra at the Cu $K$ edge in La$_{2}$CuO$_{4}$. Our analysis is based on the formula developed by…

We examine the momentum-dependent excitation spectra of indirect as well as direct resonant inelastic x-ray scattering (RIXS) processes in half-filled (extended) Hubbard rings. We determine the fundamental features of the groundstate RIXS…

A non-iterative method is presented to calculate the closest Wannier functions (CWFs) to a given set of localized guiding functions, such as atomic orbitals, hybrid atomic orbitals, and molecular orbitals, based on minimization of a…

We present a study of the construction and spatial properties of localized Wannier orbitals in large supercells of insulating solids using plane waves as the underlying basis. The Pipek-Mezey (PM) functional in combination with intrinsic…