Publications

Unique Rock-n-Roll Dynamic Appearance of a Ge-Si Ad-Dimer on Si(001)

Swartzentruber, Brian S.; Swartzentruber, Brian S.

The authors carry out a comparative study of the energetic 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{degree} 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.