Experimental and Theoretical Study of the Rotation of Si Ad-dimers on the Si(100) Surface

B. S. Swartzentruber, A. P. Smith, and H. Jónsson
Phys. Rev. Lett. 77, 2518 – Published 16 September 1996
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Abstract

Scanning tunneling microscopy measurements and first principles density functional theory calculations are used to study the rate of the rotational transition of Si ad-dimers on top of the surface dimer rows of Si(100). The rotation rate and the relative population of the two stable orientations of the ad-dimers are measured as a function of the applied electric field to extract the zero-field behavior. The measured relative stability of the two configurations is used to test the accuracy of various functionals for density functional theory calculations.

  • Received 22 January 1996

DOI:https://doi.org/10.1103/PhysRevLett.77.2518

©1996 American Physical Society

Authors & Affiliations

B. S. Swartzentruber1, A. P. Smith2, and H. Jónsson2,3

  • 1Sandia National Laboratories, Albuquerque, New Mexico 87185-1413
  • 2Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195-1700
  • 3CAMP, Department of Physics, Technical University of Denmark, DK-2800 Lyngby, Denmark

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Vol. 77, Iss. 12 — 16 September 1996

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