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

doi:10.1889/1.3256755

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 journal › Conference article › peer-review

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 language	English
Pages (from-to)	254-257
Number of pages	4
Journal	Digest of Technical Papers - SID International Symposium
Volume	40
DOIs	https://doi.org/10.1889/1.3256755
Publication status	Published - 2009
Event	2009 Vehicles and Photons Symposium - Dearborn, MI, United States Duration: Oct 15 2009 → Oct 16 2009

All Science Journal Classification (ASJC) codes

General Engineering

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10.1889/1.3256755

Cite this

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

19.3: Electronic structure calculation and QSPR analysis of Eu ²⁺-doped oxide phosphors: Relationship between emission wavelength and crystal structure. / Onuma, Hiroaki; Yamashita, Itaru; Serizawa, Kazumi et al.
In: Digest of Technical Papers - SID International Symposium, Vol. 40, 2009, p. 254-257.

Research output: Contribution to journal › Conference article › peer-review

Onuma, H, Yamashita, I, Serizawa, K, Luo, Y, Suzuki, A, Sahnoun, R, Tsuboi, H, Hatakeyama, N, Endou, A, Takaba, H, Del Carpio, CA, 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, vol. 40, pp. 254-257. https://doi.org/10.1889/1.3256755

@article{3b8248ca7f314142938f8189ecda03ba,

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

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.",

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

year = "2009",

doi = "10.1889/1.3256755",

language = "English",

volume = "40",

pages = "254--257",

journal = "Digest of Technical Papers - SID International Symposium",

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publisher = "John Wiley and Sons Inc.",

note = "2009 Vehicles and Photons Symposium ; Conference date: 15-10-2009 Through 16-10-2009",

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T2 - 2009 Vehicles and Photons Symposium

AU - Onuma, Hiroaki

AU - Yamashita, Itaru

AU - Serizawa, Kazumi

AU - Luo, Yi

AU - Suzuki, Ai

AU - Sahnoun, Riadh

AU - Tsuboi, Hideyuki

AU - Hatakeyama, Nozomu

AU - Endou, Akira

AU - Takaba, Hiromitsu

AU - Del Carpio, Carlos A.

AU - Kubo, Momoji

AU - Miyamoto, Akira

AU - Tanno, Hiroaki

AU - Kajiyama, Hiroshi

AU - Koyama, Michihisa

PY - 2009

Y1 - 2009

N2 - 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.

AB - 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.

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SN - 0097-966X

VL - 40

SP - 254

EP - 257

JO - Digest of Technical Papers - SID International Symposium

JF - Digest of Technical Papers - SID International Symposium

Y2 - 15 October 2009 through 16 October 2009

ER -

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

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