Uppala, M. K. ; Rao, C. N. R. ; Sangsterb, M. J. L. (1978) Shell-model calculation of defect energies in alkali halides employing crystal-independent interionic potential parameters Philosophical Magazine, 38 (3). pp. 341-347. ISSN 1478-6435
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Official URL: http://tandfprod.literatumonline.com/doi/abs/10.10...
Related URL: http://dx.doi.org/10.1080/01418617808239238
Abstract
Based on the analogy between polytypes and spin-half Ising chains with competing short-and infinite-range interactions, a Monte Carlo simulation of polytypes has been attempted. A general double-layer mechanism connects different states of the polytype chain with about the same probability as the spin-flip mechanism in magnetic Ising chains. It has been possible to simulate various polytypes with periodicities extending up to 12 layers. The Monte Carlo method should be useful in testing different interaction models that may be proposed in the future to describe polytypism.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Taylor and Francis Group. |
| ID Code: | 54831 |
| Deposited On: | 18 Aug 2011 12:26 |
| Last Modified: | 18 Aug 2011 12:26 |
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