Long-range surface reconstruction: Si(110)-(16 x 2)

Phys Rev Lett. 2004 Sep 24;93(13):136104. doi: 10.1103/PhysRevLett.93.136104. Epub 2004 Sep 22.

Abstract

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.