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- W2080459521 abstract "Abstract The peculiarities of chemical bonding in β-Si 3 N 4 -based solid solutions (the so-called β-SiAlONs of variable composition Si 6− x Al x O x N 8− x ) were studied by the tight-binding band structure calculations in models of 28- and 126-atom supercells. It was found that during SiAlON formation (when Al→Si and O→N substitutions take place in β-Si 3 N 4 simultaneously) clusters are formed by ‘impurity atoms’ (Al, O). As the concentration of Al and O increases, the ‘impurity clusters’ interact with each other. As a result, the impurities in SiAlONs form extended quasi-one-dimensional (1D) structures containing ‘atomic rings’ Al–O–…–Al–O (impurity channels). This effect is described by local chemical bond reconstruction. It was supposed that the formation of 1D-channels can be used for modification of β-SiAlON properties." @default.
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- W2080459521 date "2001-11-01" @default.
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- W2080459521 title "Chemical bonding and atomic ordering effects in β-SiAlON" @default.
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- W2080459521 doi "https://doi.org/10.1016/s1466-6049(01)00087-3" @default.
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