Lattice gas models of coherent strained epitaxy

Details Lattice gas models of coherent strained epitaxy Lattice gas models of coherent strained epitaxy

2002-10-23

arxiv.org/abs/cond-mat/0210529v1

Physics

Condensed Matter

Materials Science

14 pages, 2 figures

Scientific paper

10.1103/PhysRevB.68.195419

The harmonic Frenkel-Kontorova model is used to illustrate with an exactly solvable example a general technique of mapping a coherently strained epitaxial system with continuous atomic displacements onto a lattice gas model (LGM) with only discrete variables. The misfit strain of the original model is transformed into cluster interatomic interactions of the LGM. The clusters are contiguous atomic chains of all lengths but the interaction strength for long chains is exponentially small. This makes possible the application of efficient Monte Carlo techniques developed for discrete variables both in kinetic and equilibrium simulations. The formalism developed can be applied to 1D as well as to 2D systems. As an illustrative example we consider the problem of self-organization of 1D size calibrated clusters on the steps of the vicinal surfaces.

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