Kaxiras, EfthimiosAlerhand, Oscar L.Joannopoulos, John D.Turner, George W.2013-05-011989Kaxiras, Efthimios, Oscar L. Alerhand, John D. Joannopoulos, and George W. Turner. 1989. Microscopic model of heteroepitaxy of GaAs on Si(100). Physical Review Letters 62, no. 21: 2484-2486.0031-9007http://nrs.harvard.edu/urn-3:HUL.InstRepos:10605460A 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.en-USJournal Article2013-05-0110.1103/PhysRevLett.62.2484