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Title: Simulation of optical spectra of Eu^<3+> ion in fluorozirconate glasses by molecular dynamics simulation and point charge crystal field
Authors: Soga, Kohei
Inoue, Hiroyuki
Makishima, Akio
Issue Date: 2001-04-01
Publisher: American Institute of Physics
Magazine name: Journal of Applied Physics
Volume: 89
Number: 7
Start page: 3730
End page: 3735
DOI: 10.1063/1.1351542
Abstract: Eu^<3+>-doped fluorozirconate glasses with two compositions Zr:Ba=1:1(ZB11) and Zr:Ba =3:1(ZB31) were prepared. The emission, excitation, and fluorescence line narrowing spectra of those glasses were measured. Certain differences between the two glasses were observed in the observed spectra. Structural models of the glasses were simulated by molecular dynamics (MD) simulation. The optical spectra of Eu^<3+> in those glasses were simulated from the simulated glass structures using a point charge crystal field. The differences in spectral characteristics between the two glasses in the observed spectra were reproduced in the simulated spectra. The MD simulation showed that the barium ions were more apt to coordinate to EuF_a clusters than the zirconium ions were.
Rights: Copyright 2001 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Kohei Soga, Hiroyuki Inoue and Akio Makishima, Journal of Applied Physics, 89(7), 3730-3735 (2001) and may be found at http://link.aip.org/link/?JAPIAU/89/3730/1
URI: http://hdl.handle.net/10119/4548
Material Type: publisher
Appears in Collections:i10-1. 雑誌掲載論文 (Journal Articles)

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