Resonant photoemission of anatase (formula presented) (101) and (001) single crystals

Abstract

The resonant behavior of anatase (formula presented) (101) and (001) surfaces has been investigated using synchrotron photoemission spectroscopy. The data are compared with earlier photoemission work from rutile (formula presented) and calculations for bulk anatase in order to elucidate the degree of Ti-O hybridization in the valence band. The results for the (101) surface show good general agreement with bulk band-structure calculations. Deviations from the bulk band structure in the case of the (001) surface are attributed to the reconstruction of this surface. A small peak is observed at around 1 eV binding energy (relative to the Fermi energy) for both surfaces following the creation of surface defects (O vacancies), which is thought to arise from surface (formula presented) The attenuation of this peak by gentle heating in (formula presented) is attributed to healing of the surface O vacancies. © 2003 The American Physical Society.