Abstract
Theoretical studies have been made of K-edge x-ray absorption near edge structure (XANES) of Co in CoO, Co(OH)2, CoTiO3, Co3O4, and CoAl2O4. Correlations of experimental near edge features with site symmetry, local geometry, local electronic structure, i.e., atomic configuration, charge transfer, and backscattering from neighboring atomic potentials are interpreted. The self-consistent Discrete Variational Xa Method (DV-Xα) within an embedded cluster technique has been used to generate the crystal potential. A multiple scattering (MS) approach is then used to solve for the final state wave function. The ground state DV wave functions are analyzed in terms of the projected density of states, whereas the final state MS continuum wave functions are analyzed through the concept of photoelectron trapping time.
Publisher
Springer Science and Business Media LLC
Subject
Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science
Cited by
32 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献