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Session LC42 - Phase Transitions and Critical Phenomena.
ORAL session, Tuesday afternoon, March 23
Knollwood Room A, Omni Hotel

[LC42.09] Monte Carlo study of phase separation in Si_1-xGe_x with the Stillinger-Weber potential

John Lees, D. P. Landau (Center for Simulational Physics, University of Georgia)

We investigate the structural properties of silicon-germanium binary alloys using Monte Carlo simulations. We employ the Stillinger-Weber model(F.H. Stillinger and T.A. Weber, Phys. Rev. B 32), 5262 (1985). at constant pressure allowing lattice vibrations in the canonical ensemble. In the model, we use a LxLxL box with a distortable lattice where the box volume fluctuates under constant pressure. Atoms are allowed to attempt small moves off-lattice and exchange position with a nearest neighbor atom of unlike type using Metropolis rejection criteria. We study the phase separation of the binary mixture into Si-rich and Ge-rich domains in the two-phase coexistence region. The structure factor is obtained under different temperatures and concentrations of the constituents. We then compare those results to those obtained for the rigid lattice model.

Part L of program listing