Crystal and electronic structures, luminescence properties of Eu{sup 2+}-doped Si{sub 6-z}Al{sub z}O{sub z}N{sub 8-z} and M{sub y}Si{sub 6-z}Al{sub z-y}O{sub z+y}N{sub 8-z-y} (M=2Li, Mg, Ca, Sr, Ba)
Abstract
The crystal structure, electronic structure, and photoluminescence properties of Eu{sub x}Si{sub 6-z}Al{sub z-x}O{sub z+x}N{sub 8-z-x} (x=0-0.1, 0<z<1) and Eu{sub x}M{sub y}Si{sub 6-z}Al{sub z-x-y}O{sub z+x+y}N{sub 8-z-x-y} (M=2Li, Mg, Ca, Sr, Ba) have been studied. Single-phase Eu{sub x}Si{sub 6-z}Al{sub z-x}O{sub z+x}N{sub 8-z-x} can be obtained in very narrow ranges of x{<=}0.06 (z=0.15) and z<0.5 (x=0.3), indicating that limited Eu{sup 2+} ions can be incorporated into nitrogen-rich Si{sub 6-z}Al{sub z}O{sub z}N{sub 8-z}. The Eu{sup 2+} ion is found to occupy the 2b site in a hexagonal unit cell (P6{sub 3}/m) and directly connected by six adjacent nitrogen/oxygen atoms ranging 2.4850-2.5089 A. The calculated host band gaps by the relativistic DV-X{alpha} method are about 5.55 and 5.45 eV (without Eu{sup 2+} 4f5d levels) for x=0 and 0.013 in Eu{sub x}Si{sub 6-z}Al{sub z-x}O{sub z+x}N{sub 8-z-x} (z=0.15), in which the top of the 5d orbitals overlap with the Si-3s3p and N-2p orbitals within the bottom of the conduction band of the host. Eu{sub x}Si{sub 6-z}Al{sub z-x}O{sub z+x}N{sub 8-z-x} shows a strong green emission with a broad Eu{sup 2+} band centered at about 530 nm under UV to near-UV excitation range. The excitation and emission spectra are hardly modified by Eu concentration and dual-doping ions of Limore »
- Authors:
-
- Nitride Particle Group, Nano Ceramics Center, National Institute for Materials Science, Namiki 1-1, Tsukuba, Ibaraki 305-0044 (Japan)
- Publication Date:
- OSTI Identifier:
- 21212122
- Resource Type:
- Journal Article
- Journal Name:
- Journal of Solid State Chemistry
- Additional Journal Information:
- Journal Volume: 181; Journal Issue: 12; Other Information: DOI: 10.1016/j.jssc.2008.08.012; PII: S0022-4596(08)00439-8; Copyright (c) 2008 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ALUMINIUM COMPOUNDS; BARIUM COMPOUNDS; CALCIUM COMPOUNDS; DOPED MATERIALS; ELECTRONIC STRUCTURE; EMISSION SPECTRA; EUROPIUM COMPOUNDS; EUROPIUM IONS; EV RANGE 01-10; EXCITATION; HEXAGONAL LATTICES; MAGNESIUM COMPOUNDS; NITRIDES; NITROGEN; OXYGEN COMPOUNDS; PHOTOLUMINESCENCE; SILICON COMPOUNDS; SOLID SOLUTIONS; STRONTIUM COMPOUNDS; X-RAY DIFFRACTION
Citation Formats
Li, Y.Q., Hirosaki, N, Xie, R J, Takeda, T, and Mitomo, M. Crystal and electronic structures, luminescence properties of Eu{sup 2+}-doped Si{sub 6-z}Al{sub z}O{sub z}N{sub 8-z} and M{sub y}Si{sub 6-z}Al{sub z-y}O{sub z+y}N{sub 8-z-y} (M=2Li, Mg, Ca, Sr, Ba). United States: N. p., 2008.
Web. doi:10.1016/j.jssc.2008.08.012.
Li, Y.Q., Hirosaki, N, Xie, R J, Takeda, T, & Mitomo, M. Crystal and electronic structures, luminescence properties of Eu{sup 2+}-doped Si{sub 6-z}Al{sub z}O{sub z}N{sub 8-z} and M{sub y}Si{sub 6-z}Al{sub z-y}O{sub z+y}N{sub 8-z-y} (M=2Li, Mg, Ca, Sr, Ba). United States. https://doi.org/10.1016/j.jssc.2008.08.012
Li, Y.Q., Hirosaki, N, Xie, R J, Takeda, T, and Mitomo, M. 2008.
"Crystal and electronic structures, luminescence properties of Eu{sup 2+}-doped Si{sub 6-z}Al{sub z}O{sub z}N{sub 8-z} and M{sub y}Si{sub 6-z}Al{sub z-y}O{sub z+y}N{sub 8-z-y} (M=2Li, Mg, Ca, Sr, Ba)". United States. https://doi.org/10.1016/j.jssc.2008.08.012.
@article{osti_21212122,
title = {Crystal and electronic structures, luminescence properties of Eu{sup 2+}-doped Si{sub 6-z}Al{sub z}O{sub z}N{sub 8-z} and M{sub y}Si{sub 6-z}Al{sub z-y}O{sub z+y}N{sub 8-z-y} (M=2Li, Mg, Ca, Sr, Ba)},
author = {Li, Y.Q. and Hirosaki, N and Xie, R J and Takeda, T and Mitomo, M},
abstractNote = {The crystal structure, electronic structure, and photoluminescence properties of Eu{sub x}Si{sub 6-z}Al{sub z-x}O{sub z+x}N{sub 8-z-x} (x=0-0.1, 0<z<1) and Eu{sub x}M{sub y}Si{sub 6-z}Al{sub z-x-y}O{sub z+x+y}N{sub 8-z-x-y} (M=2Li, Mg, Ca, Sr, Ba) have been studied. Single-phase Eu{sub x}Si{sub 6-z}Al{sub z-x}O{sub z+x}N{sub 8-z-x} can be obtained in very narrow ranges of x{<=}0.06 (z=0.15) and z<0.5 (x=0.3), indicating that limited Eu{sup 2+} ions can be incorporated into nitrogen-rich Si{sub 6-z}Al{sub z}O{sub z}N{sub 8-z}. The Eu{sup 2+} ion is found to occupy the 2b site in a hexagonal unit cell (P6{sub 3}/m) and directly connected by six adjacent nitrogen/oxygen atoms ranging 2.4850-2.5089 A. The calculated host band gaps by the relativistic DV-X{alpha} method are about 5.55 and 5.45 eV (without Eu{sup 2+} 4f5d levels) for x=0 and 0.013 in Eu{sub x}Si{sub 6-z}Al{sub z-x}O{sub z+x}N{sub 8-z-x} (z=0.15), in which the top of the 5d orbitals overlap with the Si-3s3p and N-2p orbitals within the bottom of the conduction band of the host. Eu{sub x}Si{sub 6-z}Al{sub z-x}O{sub z+x}N{sub 8-z-x} shows a strong green emission with a broad Eu{sup 2+} band centered at about 530 nm under UV to near-UV excitation range. The excitation and emission spectra are hardly modified by Eu concentration and dual-doping ions of Li and other alkaline-earth ions with Eu. Higher Eu concentrations can significantly quench the luminescence of Eu{sup 2+} and decrease the thermal quenching temperature. In addition, the emission spectrum can only be slightly tuned to the longer wavelengths ({approx}529-545 nm) by increasing z within the solid solution range of z<0.5. Furthermore, the luminescence intensity of Eu{sub x}Si{sub 6-z}Al{sub z-x}O{sub z+x}N{sub 8-z-x} can be improved by increasing z and the dual-doping of Li and Ba. - Graphical abstract: Excitation and emission spectra of Eu{sub x}Si{sub 6-z}Al{sub z-x}O{sub z+x}N{sub 8-z-x} with the project of a 2x2x2 supercell crystal structure viewed along (001), in which red spheres are the Eu atoms.},
doi = {10.1016/j.jssc.2008.08.012},
url = {https://www.osti.gov/biblio/21212122},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 12,
volume = 181,
place = {United States},
year = {Mon Dec 15 00:00:00 EST 2008},
month = {Mon Dec 15 00:00:00 EST 2008}
}