title: Vanadium K-edge XANES in vanadium-bearing model compounds: a full multiple scattering study.
abstract: A systematic study is presented on a set of vanadium-bearing model compounds, representative of the most common V coordination geometries and oxidation states, analysed by means of vanadium K-edge X-ray absorption near-edge spectroscopy calculations in the full multiple scattering (FMS) framework. Analysis and calibration of the free parameters of the theory under the muffin-tin approximation (muffin-tin overlap and interstitial potential) have been carried out by fitting the experimental spectra using the MXAN program. The analysis shows a correlation of the fit parameters with the V coordination geometry and oxidation state. By making use of this correlation it is possible to approach the study of unknown V-bearing compounds with useful preliminary information.
authors.affiliation: School of Science and Technology, University of Camerino, Via Gentile III da Varano, 62032 Camerino, Italy.
authors.forename: Federico
authors.initials: F
authors.lastname: Benzi
authors.affiliation: School of Science and Technology, University of Camerino, Via Gentile III da Varano, 62032 Camerino, Italy.
authors.forename: Gabriele
authors.initials: G
authors.lastname: Giuli
authors.affiliation: Dipartimento di Medicina Clinica, Sanità Pubblica, Scienze della Vita e dell'Ambiente, Università dell'Aquila, Piazzale S. Tommasi 1, 67100 Coppito (AQ), Italy.
authors.forename: Stefano
authors.initials: S
authors.lastname: Della Longa
authors.affiliation: School of Science and Technology, University of Camerino, Via Gentile III da Varano, 62032 Camerino, Italy.
authors.forename: Eleonora
authors.initials: E
authors.lastname: Paris
keywords: V-bearing compounds; XANES; full multiple scattering theory; non-structural parameters