Phase Diagram of the Lattice Gas Model for the (111) Surfaces of Si and Ge —A Hard Hexagon Model with Extended Range Interactions—

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  • Phase Diagram of the Lattice Gas Model for the(111)Surfaces of Si and Ge--A Hard Hexagon Model with Extended Range Interactions
  • Phase Diagram of the Lattice Gas Model

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The phase diagram of the lattice gas model on a triangular net whose particles correspond to the adatoms in the reconstruction of Si and Ge (111) surfaces is calculated with a fixed particle concentration close to 1/4 by the Monte Carlo simulation with 48×48 lattice. The nearest neighbor pairs of particles are inhibited, while finite repulsive interactions are assumed for more distant pairs. The (2×2) and c(2×4) are the ordered states in the case where the second and third neighbor interactions are taken into account, while the c(2×8) state corresponding to the reconstruction of Ge(111) is obtained by including the sixth neighbor repulsive interaction. The (1×1) disordered state following the (2×2) or c(2×8) ordered state has a domain structure in a temperature range above the transition; particles within a domain keep the (2×2) type ordering. The mechanism underlying this short-range order is discussed.

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