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Thermal roughening of an SOS-model with elastic interaction

Frank Gutheim·Heiner Mueller-Krumbhaar·Efim Brener·Vladimir Kaganer
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Abstract

We analyze the effects of a long-ranged step-step interaction on thermal roughening within the framework of a solid-on-solid model of a crystal surface by means of Monte Carlo simulation. A repulsive step-step interaction is modeled by elastic dipoles located on sites adjacent to the steps. In order to reduce the computational effort involved in calculating interaction energy based on long-ranged potentials, we employ a multi-grid scheme. As a result of the long-range character of the step interaction, the roughening temperature increases drastically compared to a system with short-range cutoff as a consequence of anti-correlations between surface defects.

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Frank Gutheim, Heiner Mueller-Krumbhaar, Efim Brener, Vladimir Kaganer. 2002-09-06. Thermal roughening of an SOS-model with elastic interaction. https://doi.org/10.1103/physrevb.67.195404

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