Ge segregation at Si-Ge (001) stepped surfaces

Abstract
Atomistic calculations using the Stillinger-Weber and Tersoff interatomic potentials are used to study the energetics of Si-Ge interchange at Si step edges on (001) Ge surfaces. The calculations indicate that Ge segregation at SB rebonded step edges is energetically favored. This is consistent with the Ge-pump model of Jesson, Pennycook, and Baribeau [Phys. Rev. Lett. 66, 750 (1991)].