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Correlated piecewise diffusion of a Ge ad-dimer on the Si(001) surface

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics
 [1];  [1];  [1]
  1. Ames Laboratory-U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States)

We have performed extensive first-principles calculations to study the binding and diffusion of a Ge ad-dimer on the Si(001) surface. The diffusion of a Ge ad-dimer along the lowest-energy-barrier pathway is found to be piecewise but with strong correlation, and its energy barrier is 0.77 eV. Such a correlated piecewise diffusion pathway is also found to be favored by a Si ad-dimer on Si(001), with an energy barrier of 1.02 eV in excellent agreement with experimental measurements. (c) 2000 The American Physical Society.

OSTI ID:
20217703
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 12 Vol. 62; ISSN 1098-0121
Country of Publication:
United States
Language:
English

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