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A Monte Carlo Simulation of the Stillinger-Weber Model for Si-Ge Alloys

  • Mohamed Laradji (a1), D. P. Landau (a1) and B. Dünweg (a2)


The bulk phase behavior of silicon-germanium alloys is investigated by means of a constant pressure Monte Carlo simulation of the Stillinger-Weber potential in the semi-grand-canonical ensemble. At low temperatures, Si and Ge phase separate into a Si-rich phase and a Ge-rich phase. The two-phase region is terminated by a critical point whose nature is investigated thoroughly by the multihistogram method combined with finite size scaling analysis. These results showed that the critical behavior of the alloy belongs to the mean field universality class, presumably due to the elastic degrees of freedom. We have also studied the structural properties of the mixture and found that the linear thermal expansions of both Si and Ge agree well with experiments. We also verified Végard's law above the critical point and calculated bond length distributions.



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1 Jain, S.C., Willis, J.R., and Bullogh, R., Adv. Phys. 39, 127 (1990).
2 Kelires, P.C. and J. Tersoff, Phys. Rev. Lett. 63, 1164 (1989).
3 de Gironcoli, S., Giannozzi, P., and Baroni, S., Phys. Rev. Lett. 66, 2116 (1991).
4 Weakliem, P.C. and Carter, E.A., Phys. Rev. B 45, 13458 (1992).
5 Dünweg, B. and Landau, D.P., Phys. Rev. B 48, 14182 (1993).
6 Stillinger, F.H. and Weber, T.A., Phys. Rev. B 31, 5262 (1985).
7 Tersoff, J., Phys. Rev. Lett. 56, 632 (1986).
8 Biswas, R. and Hamman, D.R., Phys. Rev. Lett. 55, 2001 (1985).
9 Cowley, E.R., Phys. Rev. Lett. 60, 2379 (1988).
10 Ding, K. and Andersen, H.C., Phys. Rev. B 34, 6987 (1986).
11 Fisher, M.E., Rep. Prog. Phys. 30, 615 (1967).
12 Finite Size Scaling and Numerical Simulation of Statistical Systems, edited by Privman, V. (Word Scientific, Singapore 1990).
13 Ferrenberg, A.M. and Swendsen, R.H., Phys. Rev. Lett. 63, 1195 (1989).
14 Brezin, E. and Zinn-Justin, J., Nucl. Phys. B 257, 867 (1985).
15 Ferrenberg, A.M. and Landau, D.P., Phys. Rev. B 44, 5081 (1991).
16 Laradji, M., Landau, D.P., and Dünweg, B., submitted to Phys. Rev. B (1994).
17 The thermal expansion of Si in the low-temperature regime is well understood: see Xu, C.H., Wang, C.Z., Chan, C.T., and Ho, K.M., Phys. Rev. B 43, 5024 (1991).
18 Semiconductors, Group IV Elements and III-V Compounds, Ed. Madelung, O. (Springer-Verlag, Berlin Heidelberg 1991).
19 Végard, L., Z. Phys. 5, 17 (1921).
20 Mousseau, N. and Thorpe, M.F., Phys. Rev. B 46, 15887 (1992).

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A Monte Carlo Simulation of the Stillinger-Weber Model for Si-Ge Alloys

  • Mohamed Laradji (a1), D. P. Landau (a1) and B. Dünweg (a2)


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