国立研究開発法人量子科学技術研究開発機構(QST) / 量子ビーム科学部門 / 関西光科学研究所 / 放射光科学研究センター / 量子シミュレーション研究グループ
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日時: | 平成22年7月27日(火) 16:00〜 |
Date and time: | 27th Jul. (Tue.) 16:00〜 |
場所: | 兵庫県立大学理学部 研究棟7階談話室(739号室) |
Place: | Lecture room 739, 7F, Faculty of Science, University of Hyogo |
Title: | X-ray absorption and resonant photoelectron diffraction of titanium dioxide |
Speaker: | Prof. Peter Kruger (ICB, Univerisity of Dijon, France) |
Abstract: |
First, an experimental and theoretical study of resonant photoelectron diffraction on titanum dioxide surfaces is presented. By analyzing the defect state in the TiO2 band gap with this technique we show how real space information on the location of the defect state can be obtained [1].
Second, a method for calculating x-ray absorption spectra at transition metal L23 and actinide O45 absorption edges is presented.
It is based on the theory of multichannel multiple scattering and combines ab initio band structure and certain multiplet-type electron correlation effects.
The method is applied to Ca, Ti [2] and Th compounds and good agreement with experiment is obtained.
[1] P. Krüger et al., Phys. Rev. Lett. 100 (2008) 055501.
[2] P. Krüger, Phys. Rev. B 81 (2010) 125121.