Abstract

The pre-edge region of Ti N-edge polarized XANES spectra in TiO2-mtile is investigated by full-potential calculations based on the finite-difference method. Both dipolar and quadrupolar transitions are considered. The use ofnon muffin-tin potential allows a clear interpretation of the pre-edge features. The results are consistent with Full-potential LAPW band structure calculations, and are also compared with multiple-scattering calculations.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call