Angular Dependent Soft X-ray Absorption Spectroscopy of V2O5 and V6O13

TL;DR

This study uses angle-dependent soft X-ray absorption spectroscopy on V2O5 and V6O13 single crystals to reveal detailed electronic structure features, emphasizing the importance of polarization and crystal orientation.

Contribution

It provides a detailed comparison of experimental spectra with LCAO DOS calculations, highlighting the effects of polarization and crystal orientation on spectral features.

Findings

Spectra vary significantly with incident angle.

Polarized light reveals features not seen in polycrystals.

Spectra match unoccupied DOS, emphasizing hybridization effects.

Abstract

We have measured the V 2p3/2 and O 1s x-ray absorption spectra of single crystal V2O5 and V6O13 and compared to linear combinations of atomic orbitals (LCAO) density of states (DOS) calculations. The spectra change dramatically with incident angle. The use of polarized light and a single crystal limits the number of transitions possible, revealing spectral features that cannot be resolved on polycrystals (angle-integrated). The measured O 1s and V 2p3/2 spectra agree with the projected unoccupied O 2p and V 3d DOS respectively, indicating that atomic and solid state effects, including V-O hybridization, must be included to adequately describe the spectra.