Theoretical and experimental Ti-K NEXAFS of various Ti-oxides

Teruyasu Mizoguchi, Masaki Sakurai, Atsutomo Nakamura, Takeo Sasaki, Yukio Sato, Katsuyuki Matsunaga, Takahisa Yamamoto, Yuichi Ikuhara

    Research output: Contribution to journalConference articlepeer-review

    1 Citation (Scopus)


    Near-edge structure of X-ray absorption spectrum (NEXAFS) of various Ti-oxides were investigated by combined with first principles orthogonalized linear combinations of atomic orbitals (OLCAO) method. From experimental and theoretical studies on the NEXAFS of the tetravalent and trivalent Ti-oxides, including rutile, anatase, brookite, columbite, and Ti2O3, it was found that the valence state of Ti can be identified by regarding the positions of the spectral onset and the shoulder in the main-peak of Ti-K NEXAFS.

    Original languageEnglish
    Pages (from-to)3119-3122
    Number of pages4
    JournalMaterials Science Forum
    Issue numberIV
    Publication statusPublished - 2005
    EventPRICM 5: The Fifth Pacific Rim International Conference on Advanced Materials and Processing - Beijing, China
    Duration: 2004 Nov 22004 Nov 5


    • First-principles band structure calculation
    • NEXAFS
    • Ti-oxides

    ASJC Scopus subject areas

    • Materials Science(all)
    • Condensed Matter Physics
    • Mechanics of Materials
    • Mechanical Engineering


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