Atomic ordering effects and bond indices in quaternary systems Si-(Be,Al)-O-N
Materials Science
2007-05-23 v1
Abstract
We propose a microscopic method for modeling atomic ordering effects in multi-component solid solutions, which is based on minimizing the number of unfavorable interatomic bonds in the system. Atomic ordering effects are studied in the solid solutions Si{6-x}AlxOxN{8-x} (beta-SiAlONs) and hypothetical Si{6-x}BexO{2x}N{8-2x} in the beta-Si3N4-Be-O system. It is established that in beta-SiAlONs, Al,O atoms form separate quasi-one-dimensional ``channels''. On the contrary, in Si{6-x}BexO{2x}N{8-2x}, Be and O atoms constitute a whole cluster. This means that homogeneous solid solutions cannot be formed in the beta-Si3N4-Be-O system under equilibrium conditions.
Cite
@article{arxiv.cond-mat/0212397,
title = {Atomic ordering effects and bond indices in quaternary systems Si-(Be,Al)-O-N},
author = {S. V. Okatov},
journal= {arXiv preprint arXiv:cond-mat/0212397},
year = {2007}
}
Comments
5 pages, 4 figures. RevTeX4