Resonant photoemission of anataseTiO2(101) and (001) single crystals

Autor:	Michael Grätzel, R. L. Stockbauer, R. Hengerer, G. C. Smith, A. K. Mallick, Wendy R. Flavell, S. Patel, Andrew G. Thomas, A. R. Kumarasinghe, D. Tsoutsou
Rok vydání:	2003
Předmět:	Condensed Matter::Materials Science Anatase Materials science Condensed matter physics Photoemission spectroscopy Binding energy Inverse photoemission spectroscopy Order (ring theory) Fermi energy Angle-resolved photoemission spectroscopy Electronic band structure
Zdroj:	Physical Review B. 67
ISSN:	1095-3795 0163-1829
DOI:	10.1103/physrevb.67.035110
Popis:	The resonant behavior of anatase ${\mathrm{TiO}}_{2}$ (101) and (001) surfaces has been investigated using synchrotron photoemission spectroscopy. The data are compared with earlier photoemission work from rutile ${\mathrm{TiO}}_{2}(110)$ 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 ${\mathrm{Ti}}^{3+}.$ The attenuation of this peak by gentle heating in ${\mathrm{O}}_{2}$ is attributed to healing of the surface O vacancies.
Databáze:	OpenAIRE
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