X-ray absorption linear dichroism at the Ti K-edge of rutile (001) TiO₂ single crystal.

ABSTRACT: X-ray absorption linear dichroism of rutile TiO₂ at the Ti K-edge provides information about the electronic states involved in the pre-edge transitions. Here, linear dichroism with high energy resolution is analyzed in combination with ab initio finite difference method calculations and spherical tensor analysis. It provides an assignment of the three pre-edge peaks beyond the octahedral crystal field splitting approximation and estimates the spatial extension of the corresponding final states. It is then discussed for the first time the X-ray absorption (XAS) of pentacoordinated titanium atoms due to oxygen vacancies and it is found that, similarly to anatase TiO₂, rutile is expected to exhibit a transition on the low-energy side of peak A3. Its apparent absence in t

SUBMITTER: Rossi TC 

PROVIDER: S-EPMC7064109 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature