Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 5603-5606 |
| Number of pages | 4 |
| Journal | Physical Review Letters |
| Volume | 85 |
| Issue number | 26 |
| DOIs | |
| State | Published - Jan 1 2000 |
| Externally published | Yes |
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