Monte-Carlo study of a model for the roughening transition of high-index crystal faces |
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Authors: | W Selke A M Szpilka |
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Institution: | (1) IBM Zurich Research Laboratory, Säumerstrasse 4, CH-8803 Rüschlikon, Switzerland;(2) Institut für Festkörperforschung der Kernforschungsanlage Jülich, Federal Republic of Germany;(3) Present address: Baker Laboratory, Cornell University, 14853 Ithaca, NY, USA |
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Abstract: | A simple terrace-step-kink model is studied using Monte-Carlo techniques. In the nearly isotropic case where the energy to form a kink within a step,W
0, is equal to the energy to shift a step by one interatomic spacing,w
n, the roughening transition is determined numerically in accordance with the Kosterlitz-Thouless theory. In the anisotropic case,w
nW
0, results can be related to atomic beam-diffraction experiments on Cu(1,1,3). Additional evidence for a roughening transition of that face is given; the transition, however, seems to occur at a temperature somewhat higher than has been previously anticipated. |
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