Long-range surface reconstruction: Si(110)-(16 x 2).
A variety of reconstruction models is studied for the Si(110)-(16 x 2) surface using first-principles calculations. Assuming appropriate rebonding of edge atoms and surface chains buckled in antiphase, we show that steps along the [112] direction yielding a trench indeed lower the surface energy. We explain the long-range surface reconstruction and develop a geometry model based on steps, adatoms, tetramers, and interstitials. The model is able to explain the stripes of paired pentagons seen obviously in empty-state scanning tunneling microscopy images.
Stekolnikov
A A
AA
Institut für Festkörpertheorie und -optik, Friedrich-Schiller-Universität, 07743 Jena, Germany.
Furthmüller
J
J
Bechstedt
F
F