Long-range ordering of extended defects in non-stoichiometric oxides
- 1 January 1983
- journal article
- research article
- Published by Taylor & Francis in Radiation Effects
- Vol. 74 (1) , 237-245
- https://doi.org/10.1080/00337578308218417
Abstract
We present the results of a detailed atomistic computer simulation study of extended defects in non-stoichiometric oxides. We find that atomic relaxations away from the shear planes are responsible for their stability over point defects in these materials, and show that an adequate treatment of the long-range ordering of these extended defects requires calculations on shear plane super-cells. Lattice vector relaxation is shown to play a crucial role in the interaction between extended defects, and we demonstrate the inadequacy of any theoretical approach which confines this interaction to nearest neighbours only.Keywords
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