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Equilibrium Crystal Shape of Silicon Near (001)

  • J. Tersoff (a1) and E. Pehlke (a2)

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We have calculated the equilibrium shape of a silicon crystal at orientations near (001), both at T=0 and at elevated temperature [1], using methods developed previously to study stepped surfaces [2,3,4]. Comparison with recent experiments shows that several topographic features observed on Si direcdy reflect the equilibrium shape. In particular, our results resolve an apparent discrepancy between theory and experiment, regarding facetting between regions of single-layer and double-layer steps. In addition, the calculated crystal shape suggests an explanation for observed low-angle facetting on very flat (001) surfaces.

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1. Tersoff, J. and Pehlke, E., Phys. Rev. B (in press).
2. Pehlke, E. and Tersoff, J., Phys. Rev. Lett. 67, 465 (1991); and Phys. Rev. Lett. 67, 1290 (1991).
3. Tersoff, J. and Pehlce, E., Phys. Rev. Lett. 68, 816 (1992).
4. Alerhand, O. L., Berker, A. N., Joannopoulos, J. D., Vanderbilt, D., Hamers, R. J. and Demuth, J. E., Phys. Rev. Lett. 64, 2406 (1990);
Alerhand, O. L., Vanderbilt, D., Meade, R. D. and Joannopoulos, J. D., Phys. Rev. Lett. 61, 1973 (1988).

Equilibrium Crystal Shape of Silicon Near (001)

  • J. Tersoff (a1) and E. Pehlke (a2)

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