Phys. Rev. Lett. 85, 5603–5606 (2000)Unique Dynamic Appearance of a Ge-Si Ad-dimer on Si(001)Received 5 July 2000; published in the issue dated 25 December 2000 We carry out a comparative study of the energetics and dynamics of Si-Si, Ge-Ge, and Ge-Si ad-dimers on top of a dimer row in the Si(001) surface, using first-principles calculations. The dynamic appearance of a Ge-Si dimer is distinctively different from that of a Si-Si or Ge-Ge dimer, providing a unique way for its identification by scanning tunneling microscopy (STM). Its “rocking” motion, observed in STM, actually reflects a 180° rotation of the dimer, involving a piecewise-rotation mechanism. The calculated energy barrier of 0.74 eV is in good agreement with the experimental value of 0.82 eV. © 2000 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.85.5603
DOI:
10.1103/PhysRevLett.85.5603
PACS:
68.35.Fx, 68.35.Bs, 71.15.Mb, 73.20.Hb
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