Local environment analysis of dopants in ceramics by x-ray absorption near-edge structure with the aid of first-principles calculations

Tomoyuki Yamamoto, Yoshitada Kawashima, Yasuyuki Kusakabe, Shigeru Matsuda, Yutaka Mizuoka, Yuki Nakade, Toshihiro Okajima

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    Abstract

    Three types of functional ceramic materials, (1) dilute magnetic semiconductor, (2) phosphor and (3) electrolyte of a solid fuel cell, are fabricated by the conventional solid state reaction method. Local environments of dopants in these ceramic materials here synthesized are systematically investigated by using the x-ray absorption near-edge structure (XANES) with the aid of first-principles calculations. Our present analytical method by combined use of XANES and first principles calculations has successfully explained the local environment of dopants in the above ceramic materials.

    Original languageEnglish
    Article number104211
    JournalJournal of Physics Condensed Matter
    Volume21
    Issue number10
    DOIs
    Publication statusPublished - 2009

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    ASJC Scopus subject areas

    • Condensed Matter Physics
    • Materials Science(all)

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