Orbital structure of FeTiO3 ilmenite investigated with polarization-dependent X-ray absorption spectroscopy and band structure calculations

Electronic structure of ilmenite: X-ray absorption and DFT study

The experimental Ti K-edge X-ray absorption near edge structure (XANES) spectrum of the mineral ilmenite was recorded. The theoretical Ti K-XANES spectra of ilmenite were simulated using both the self-consistent real-space full-multiple scattering theory within the muffin-tin approximation for the potential shape and the full-potential finite difference method. The comparison of the theoretical...

Electronic structure of InN studied using soft x-ray emission, soft x-ray absorption, and quasiparticle band structure calculations

The electronic structure of wurtzite InN 0001̄ thin films has been studied using a combination of soft x-ray emission and absorption spectroscopies. We measured the elementally and orbitally resolved InN valence and conduction bands by recording the N K-edge spectra. Theoretical calculations of the N 2p partial density of states were performed within the GW framework of many body perturbation th...

Structure and dynamics of hemeproteins using X- ray Absorption Spectroscopy

Experimental investigations on protein dynamics are usually carried out in solution; however, in most cases, the determination of protein structure is done by crystallography that relies on the diffraction properties of the protein arranged in a three-dimensional lattice. X-ray Absorption Spectroscopy (XAS) is an ideal tool to investigate the deep relationships between structure and dynamics, o...

Crystallization of Amorphous Germanium Investigated by X-ray Absorption Spectroscopy

Electronic structure of Cu1ÀxNixRh2S4 and CuRh2Se4: Band-structure calculations, x-ray photoemission, and fluorescence measurements

The electronic structure of spinel-type Cu12xNixRh2S4 (x50.0, 0.1, 0.3, 0.5, 1.0! and CuRh2Se4 compounds has been studied by means of x-ray photoelectron ~XPS! and fluorescent spectroscopy. Cu L3, Ni L3, S L2,3 , and Se M 2,3 x-ray emission spectra ~XES! were measured near thresholds at Beamline 8.0 of the Lawrence Berkeley Laboratory’s Advanced Light Source. XES measurements of the constituent...