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19.3: Electronic Structure Calculation and QSPR Analysis of Eu 2+ ‐doped Oxide Phosphors: Relationship between Emission Wavelength and Crystal Structure
Author(s) -
Onuma Hiroaki,
Yamashita Itaru,
Serizawa Kazumi,
Luo Yi,
Suzuki Ai,
Sahnoun Riadh,
Tsuboi Hideyuki,
Hatakeyama Nozomu,
Endou Akira,
Takaba Hiromitsu,
Carpio Carlos A.,
Kubo Momoji,
Miyamoto Akira,
Tanno Hiroaki,
Kajiyama Hiroshi,
Koyama Michihisa
Publication year - 2009
Publication title -
sid symposium digest of technical papers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.351
H-Index - 44
eISSN - 2168-0159
pISSN - 0097-966X
DOI - 10.1889/1.3256755
Subject(s) - phosphor , doping , wavelength , atom (system on chip) , crystal structure , oxide , materials science , crystal (programming language) , chemistry , atomic physics , analytical chemistry (journal) , optoelectronics , crystallography , physics , organic chemistry , computer science , embedded system , programming language , metallurgy
In this study, we have computationally revealed the relationship between crystal structure and emission wavelength for Eu 2+ ‐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 Eu 2+ ‐doped phosphors: 1) The host materials which have many A atoms and shorter/longer A‐A/A‐O distances are suitable to get longer Eu 2+ emission wavelength, 2) The host materials which have less A atoms and longer/shorter A‐A/A‐O distances are suitable to get shorter Eu 2+ emission wavelength.