相关论文: Orbital-resolved Soft X-Ray Spectroscopy in NaV2O5

X-ray absorption spectroscopy is a well established tool for obtaining information about orbital and spin degrees of freedom in transition metal- and rare earth-compounds. For this purpose usually the dipole transitions of the L- (2p to 3d)…

We have surveyed the optical linear polarization of a completely identified sample of 43 bright soft-X-ray-selected ROSAT AGN. Most (40) of these AGN show low polarization (<1%), and no clear optical reddening. This supports the suggestion…

Motivated by recent theoretical and experimental controversy, we present a theoretical study to clarify the orbital symmetry of the ground state of vanadium spinel oxides AV$_2$O$_4$ (A=Zn, Mg, Cd). The study is based on an effective…

Extensive calculations of the atomic data required for the spectral modelling of the K-shell photoabsorption of oxygen ions have been carried out in a multi-code approach. The present level energies and wavelengths for the highly ionized…

We present a theoretical analysis of photo-absorption spectroscopies in noncentrosymmetric systems, covering both x-ray and optical regions. Integrated dichroic spectra are interpreted using microscopic effective operators, which are…

V 3$d$ charge and orbital states in V$_2$OPO$_4$ have been investigated by means of x-ray absorption spectroscopy (XAS). The electronic structure of V$_2$OPO$_4$ is very unique in that the charge transfer between V$^{2+}$ and V$^{3+}$ in…

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 demonstrate that variations in molecular chemisorption energy on different metals, different surface terminations, and different strain conditions can be accounted for by orbital-specific changes in the substrate electronic structure.…

We report on the observation of orbital excitations in YVO3 by means of resonant inelastic x-ray scattering (RIXS) at energies across the vanadium L3 and oxygen K absorption edges. Due to the excellent experimental resolution we are able to…

The problem of the geometry of interstitial oxygen in silicon is settled by proper consideration of the quantum delocalization of the oxygen atom around the bond-center position. The calculated infrared absorption spectrum accounts for the…

Resonant inelastic x-ray scattering is used to investigate the electronic origin of orbital polarization in nickelate heterostructures taking $\mathrm{LaTiO_3-LaNiO_3-3x(LaAlO_3)}$, a system with exceptionally large polarization, as a model…

X-ray scattering at the carbon absorption edge is uniquely sensitive to local molecular bond identity and orientation in organic nanostructures, encoded as a function of photon energy and polarization. However, quantitative analysis is…

High resolution X-ray spectra of the Reflection Grating Spectrometer (RGS) on board the XMM satellite are used to resolve the oxygen K absorption edge. By combining spectra of low and high extinction sources, the observed absorption edge…

X-ray absorption spectroscopy (XAS) is a powerful experimental tool to probe the local structure in materials with the core hole excitations. Here, the oxygen K-edge XAS spectra of the NaCl solution and pure water are computed by using a…

A new technical method is developed for soft x-ray spectroscopy of near-edge x-ray absorption fine structure (NEXAFS). The measurement is performed with continuously rotating linearly polarized light over 2$\pi$, generated by a segmented…

The rich information content of measurements in the molecular frame rather than the laboratory frame has motivated the development of several methods for aligning gas phase molecules in space. Even so, for asymmetric tops the problem of…

We reproduced the initial sticking probability of O$_{2}$/Al(111) by use of spin-polarized density functional theory and quantum dynamics calculations. We found a large activation barrier when the molecule is dissociatively adsorbed through…

We present an x-ray absorption spectroscopy study from the carbon $K$, sulfur $K$, and sulfur $L_{2,3}$ edges of crystalline oligothiophenes of varying length, i.e., bithiophene (2T), quaterthiophene (4T), and sexithiophene (6T), performed…

We present the orbital-phase resolved analysis of an archival FO Aqr observation obtained using the X-ray Multi-Mirror Mission (XMM-Newton), European Photon Imaging Camera (pn instrument). We investigate the variation of the spin pulse…

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…