Uppal, MK and Ramasesha, S and Rao, CNR (1980) Computer simulation of polytypes. In: Acta Crystallographica Section A Crystal Physics, Diffraction, Theoretical and General Crystallography, 36 (3). pp. 356-361.
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Polytypes have been simulated, treating them as analogues of a one-dimensional spin-half Ising chain with competing short-range and infinite-range interactions. Short-range interactions are treated as random variables to approximate conditions of growth from melt as well as from vapour. Besides ordered polytypes up to 12R, short stretches of long-period polytypes (up to 33R) have been observed. Such long-period sequences could be of significance in the context of Frank's theory of polytypism. The form of short-range interactions employed in the study has been justified by carrying out model potential calculations.
|Item Type:||Journal Article|
|Additional Information:||Copyright of this article belongs to International Union of Crystallography .|
|Department/Centre:||Division of Biological Sciences > Molecular Biophysics Unit|
|Date Deposited:||04 Aug 2009 03:23|
|Last Modified:||19 Sep 2010 05:39|
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