E. Kaxiras, Y. Bar-Yam, et al.
Physical Review B
A new microscopic model of heteroepitaxial growth is introduced using GaAs on Si(100) as a prototype. This model takes into account specific features of surface topology, predicts that in the prototype system conventional two-dimensional epitaxy should be inhibited, and provides a fundamental explanation for three-dimensional nature of the initial stages of growth. The ingredients of the model, which are supported by total-energy calculations, include new structural geometries for each state of growth and the chemical and rehybridization reactions linking these stages. © 1989 The American Physical Society.