19.3: Electronic structure calculation and QSPR analysis of Eu 2+-doped oxide phosphors: Relationship between emission wavelength and crystal structure

Hiroaki Onuma, Itaru Yamashita, Kazumi Serizawa, Yi Luo, Ai Suzuki, Riadh Sahnoun, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Momoji Kubo, Akira Miyamoto, Hiroaki Tanno, Hiroshi Kajiyama, Michihisa Koyama

    研究成果: Contribution to journalArticle査読

    抄録

    In this study, we have computationally revealed the relationship between crystal structure and emission wavelength for Eu2+-doped oxide phosphors. The quantum chemistry calculations and quantitative analysis of structure-property relationship suggested that both O and alkaline-earth (A) atoms around the Eu atom in phosphors are of importance for emission wavelength. This extension of the consideration range for interaction of A atoms gave the simple guideline for the emission wavelength control of Eu2+-doped phosphors: 1) The host materials which have many A atoms and shorter/longer A-A/A-O distances are suitable to get longer Eu2+ emission wavelength, 2) The host materials which have less A atoms and longer/shorter A-A/A-O distances are suitable to get shorter Eu2+ emission wavelength.

    本文言語英語
    ページ(範囲)254-257
    ページ数4
    ジャーナルDigest of Technical Papers - SID International Symposium
    40
    DOI
    出版ステータス出版済み - 12 1 2009

    All Science Journal Classification (ASJC) codes

    • Engineering(all)

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