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Phys. Rev. Lett. 64, 2406–2409 (1990)

Finite-temperature phase diagram of vicinal Si(100) surfaces

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O. L. Alerhand, A. Nihat Berker, J. D. Joannopoulos, and David Vanderbilt
Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139
Bellcore, Red Bank, New Jersey 07701
Department of Physics, Harvard University, Cambridge, Massachusetts 02138

R. J. Hamers and J. E. Demuth
IBM Research Division, Thomas J. Watson Research Center, Yorktown Heights, New York 10598

Received 22 November 1989; published in the issue dated 14 May 1990

The phase diagram of vicinal Si(100) as a function of misorientation angle and temperature is calculated. Contrary to previous suggestions that only double-layer steps should appear on the equilibrium surface, it is predicted that the single-layer stepped surface is at equilibrium for small misorientation angles. This structure is stabilized by strain relaxation and by the thermal roughening of the steps. For annealed surfaces the critical angle at which the transition between the single- and double-layer stepped surface occurs is calculated to be θc≊2°.

© 1990 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.64.2406
DOI:
10.1103/PhysRevLett.64.2406
PACS:
68.35.Bs, 61.16.Di, 64.80.Gd, 81.40.Ef