Local structures of Si2(O,N)7 ditetrahedra in J-phase

J. Takahashi; M. Shimada; H. Yamane

doi:10.4028/0-87849-439-1.43

Local structures of Si₂(O,N)₇ ditetrahedra in J-phase

J. Takahashi, M. Shimada, H. Yamane

IMRAM - Division of Inorganic Material Research

National Institute of Technology, Akita College

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

2 Citations (Scopus)

Abstract

Oxygen/nitrogen (O/N) configuration in RE-J-phase, RE₄Si ₂O₇N₂ (RE = rare earth element), was simulated by the Monte Carlo method applied to O/N distribution models. Proportion of local structures of Si₂(O₅N)₇ ditetrahedra and Si(O,N)₄ tetrahedra in the J-phase was quantitatively assessed. For the Lu-J-phase model with the bridging site between two Si atoms being occupied by nitrogen atom, the Si₂(O,N)₇ ditetrahedra composed of O₃=Si-N-Si=O₂N (> 40%), O₃=Si-N- Si≡O₃ (c.a. 30 %), and O₂N≡Si-N≡SiO ₂N(c.a. 15 %). Tetrahedra of SiO₃N and SiO ₂N₂ were dominant and small amount of SiON₃ tetrahedra coexisted. For La-J-phase model with the O/N occupancy of 0.1/0.9 at the bridging site, configurations of O₃≡Si-O-Si≡O ₂N (c.a. 5%), O₃≡Si-O-Si≡O₃ (c.a. 3%), and O₂N=Si-O-Si≡O₂N (c.a. 2%) were demonstrated in addition to the three configurations of ditretrahedra recognized in the Lu-J-phase. In La-J-phase coexistence of SiO₄ tetrahedra was presented.

Original language	English
Title of host publication	Nitrides and Oxynitrides III - Proceedings of the 5th International Symposium on Nitrides
Publisher	Trans Tech Publications Ltd
Pages	43-49
Number of pages	7
ISBN (Print)	0878494391, 9780878494392
DOIs	https://doi.org/10.4028/0-87849-439-1.43
Publication status	Published - 2007
Event	5th International Symposium on Nitrides - Eskisehir, Turkey Duration: 2006 Apr 3 → 2006 Apr 5

Publication series

Name	Materials Science Forum
Volume	554
ISSN (Print)	0255-5476
ISSN (Electronic)	1662-9752

Conference

Conference	5th International Symposium on Nitrides
Country/Territory	Turkey
City	Eskisehir
Period	06/4/3 → 06/4/5

Keywords

J-phase
Local structure
Rare-earth silicon oxynitrides
Simulation

Access to Document

10.4028/0-87849-439-1.43

Cite this

@inproceedings{36f914ac0e964b51bbcea92613c45fe0,

title = "Local structures of Si2(O,N)7 ditetrahedra in J-phase",

abstract = "Oxygen/nitrogen (O/N) configuration in RE-J-phase, RE4Si 2O7N2 (RE = rare earth element), was simulated by the Monte Carlo method applied to O/N distribution models. Proportion of local structures of Si2(O5N)7 ditetrahedra and Si(O,N)4 tetrahedra in the J-phase was quantitatively assessed. For the Lu-J-phase model with the bridging site between two Si atoms being occupied by nitrogen atom, the Si2(O,N)7 ditetrahedra composed of O3=Si-N-Si=O2N (> 40%), O3=Si-N- Si≡O3 (c.a. 30 %), and O2N≡Si-N≡SiO 2N(c.a. 15 %). Tetrahedra of SiO3N and SiO 2N2 were dominant and small amount of SiON3 tetrahedra coexisted. For La-J-phase model with the O/N occupancy of 0.1/0.9 at the bridging site, configurations of O3≡Si-O-Si≡O 2N (c.a. 5%), O3≡Si-O-Si≡O3 (c.a. 3%), and O2N=Si-O-Si≡O2N (c.a. 2%) were demonstrated in addition to the three configurations of ditretrahedra recognized in the Lu-J-phase. In La-J-phase coexistence of SiO4 tetrahedra was presented.",

keywords = "J-phase, Local structure, Rare-earth silicon oxynitrides, Simulation",

author = "J. Takahashi and M. Shimada and H. Yamane",

year = "2007",

doi = "10.4028/0-87849-439-1.43",

language = "English",

isbn = "0878494391",

series = "Materials Science Forum",

publisher = "Trans Tech Publications Ltd",

pages = "43--49",

booktitle = "Nitrides and Oxynitrides III - Proceedings of the 5th International Symposium on Nitrides",

note = "5th International Symposium on Nitrides ; Conference date: 03-04-2006 Through 05-04-2006",

}

Takahashi, J, Shimada, M & Yamane, H 2007, Local structures of Si₂(O,N)₇ ditetrahedra in J-phase. in Nitrides and Oxynitrides III - Proceedings of the 5th International Symposium on Nitrides. Materials Science Forum, vol. 554, Trans Tech Publications Ltd, pp. 43-49, 5th International Symposium on Nitrides, Eskisehir, Turkey, 06/4/3. https://doi.org/10.4028/0-87849-439-1.43

Local structures of Si₂(O,N)₇ ditetrahedra in J-phase. / Takahashi, J.; Shimada, M.; Yamane, H.
Nitrides and Oxynitrides III - Proceedings of the 5th International Symposium on Nitrides. Trans Tech Publications Ltd, 2007. p. 43-49 (Materials Science Forum; Vol. 554).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - Local structures of Si2(O,N)7 ditetrahedra in J-phase

AU - Takahashi, J.

AU - Shimada, M.

AU - Yamane, H.

PY - 2007

Y1 - 2007

N2 - Oxygen/nitrogen (O/N) configuration in RE-J-phase, RE4Si 2O7N2 (RE = rare earth element), was simulated by the Monte Carlo method applied to O/N distribution models. Proportion of local structures of Si2(O5N)7 ditetrahedra and Si(O,N)4 tetrahedra in the J-phase was quantitatively assessed. For the Lu-J-phase model with the bridging site between two Si atoms being occupied by nitrogen atom, the Si2(O,N)7 ditetrahedra composed of O3=Si-N-Si=O2N (> 40%), O3=Si-N- Si≡O3 (c.a. 30 %), and O2N≡Si-N≡SiO 2N(c.a. 15 %). Tetrahedra of SiO3N and SiO 2N2 were dominant and small amount of SiON3 tetrahedra coexisted. For La-J-phase model with the O/N occupancy of 0.1/0.9 at the bridging site, configurations of O3≡Si-O-Si≡O 2N (c.a. 5%), O3≡Si-O-Si≡O3 (c.a. 3%), and O2N=Si-O-Si≡O2N (c.a. 2%) were demonstrated in addition to the three configurations of ditretrahedra recognized in the Lu-J-phase. In La-J-phase coexistence of SiO4 tetrahedra was presented.

AB - Oxygen/nitrogen (O/N) configuration in RE-J-phase, RE4Si 2O7N2 (RE = rare earth element), was simulated by the Monte Carlo method applied to O/N distribution models. Proportion of local structures of Si2(O5N)7 ditetrahedra and Si(O,N)4 tetrahedra in the J-phase was quantitatively assessed. For the Lu-J-phase model with the bridging site between two Si atoms being occupied by nitrogen atom, the Si2(O,N)7 ditetrahedra composed of O3=Si-N-Si=O2N (> 40%), O3=Si-N- Si≡O3 (c.a. 30 %), and O2N≡Si-N≡SiO 2N(c.a. 15 %). Tetrahedra of SiO3N and SiO 2N2 were dominant and small amount of SiON3 tetrahedra coexisted. For La-J-phase model with the O/N occupancy of 0.1/0.9 at the bridging site, configurations of O3≡Si-O-Si≡O 2N (c.a. 5%), O3≡Si-O-Si≡O3 (c.a. 3%), and O2N=Si-O-Si≡O2N (c.a. 2%) were demonstrated in addition to the three configurations of ditretrahedra recognized in the Lu-J-phase. In La-J-phase coexistence of SiO4 tetrahedra was presented.

KW - J-phase

KW - Local structure

KW - Rare-earth silicon oxynitrides

KW - Simulation

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DO - 10.4028/0-87849-439-1.43

M3 - Conference contribution

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SN - 0878494391

SN - 9780878494392

T3 - Materials Science Forum

SP - 43

EP - 49

BT - Nitrides and Oxynitrides III - Proceedings of the 5th International Symposium on Nitrides

PB - Trans Tech Publications Ltd

T2 - 5th International Symposium on Nitrides

Y2 - 3 April 2006 through 5 April 2006

ER -