Simulation Studies of Electronic Properties and Atomic Ordering in the b-Si3N4 – Mg – O SYSTEM

Simulation Studies of Electronic Properties and Atomic Ordering in the b-Si3N4 – Mg – O SYSTEM Simulation studies of the electronic structure, interatomic bonds, chemical composition, and atomic ordering in solid solutions Si6–x MgxO2x N8–2x of the β-Si3N4 – Mg – O system and solid solutions Si6–x MgxOxN8–2x Xx (X = S, Se) and Si6–x Mg x/2M x/2OxN8–x (M = C, Si, Ti, Ge, Zr, Sn, and Pb) are carried out using the strong-coupling energy-band method. Stabilization of solid solutions Si6–x MgxO2x N8–2x is accomplished in the presence of S, Se or Zr. In these solutions, Mg and O atoms are capable of forming quasi-unidimensional structures (dopant, or impurity, channels) similar to those predicted for β-sialons. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Refractories and Industrial Ceramics Springer Journals

Simulation Studies of Electronic Properties and Atomic Ordering in the b-Si3N4 – Mg – O SYSTEM

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Publisher
Kluwer Academic Publishers-Plenum Publishers
Copyright
Copyright © 2002 by Plenum Publishing Corporation
Subject
Materials Science; Characterization and Evaluation of Materials; Materials Science, general; Ceramics, Glass, Composites, Natural Materials
ISSN
1083-4877
eISSN
1573-9139
D.O.I.
10.1023/A:1023484709222
Publisher site
See Article on Publisher Site

Abstract

Simulation studies of the electronic structure, interatomic bonds, chemical composition, and atomic ordering in solid solutions Si6–x MgxO2x N8–2x of the β-Si3N4 – Mg – O system and solid solutions Si6–x MgxOxN8–2x Xx (X = S, Se) and Si6–x Mg x/2M x/2OxN8–x (M = C, Si, Ti, Ge, Zr, Sn, and Pb) are carried out using the strong-coupling energy-band method. Stabilization of solid solutions Si6–x MgxO2x N8–2x is accomplished in the presence of S, Se or Zr. In these solutions, Mg and O atoms are capable of forming quasi-unidimensional structures (dopant, or impurity, channels) similar to those predicted for β-sialons.

Journal

Refractories and Industrial CeramicsSpringer Journals

Published: Oct 13, 2004

References

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