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

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish
Pages (from-to)254-257
Number of pages4
JournalDigest of Technical Papers - SID International Symposium
Volume40
DOIs
Publication statusPublished - Dec 1 2009

All Science Journal Classification (ASJC) codes

  • Engineering(all)

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    Onuma, H., Yamashita, I., Serizawa, K., Luo, Y., Suzuki, A., Sahnoun, R., Tsuboi, H., Hatakeyama, N., Endou, A., Takaba, H., Del Carpio, C. A., Kubo, M., Miyamoto, A., Tanno, H., Kajiyama, H., & Koyama, M. (2009). 19.3: Electronic structure calculation and QSPR analysis of Eu 2+-doped oxide phosphors: Relationship between emission wavelength and crystal structure. Digest of Technical Papers - SID International Symposium, 40, 254-257. https://doi.org/10.1889/1.3256755