4 research outputs found
First-principles study of nucleation, growth, and interface structure of Fe/GaAs
We use density-functional theory to describe the initial stages of Fe film
growth on GaAs(001), focusing on the interplay between chemistry and magnetism
at the interface. Four features appear to be generic: (1) At submonolayer
coverages, a strong chemical interaction between Fe and substrate atoms leads
to substitutional adsorption and intermixing. (2) For films of several
monolayers and more, atomically abrupt interfaces are energetically favored.
(3) For Fe films over a range of thicknesses, both Ga- and As-adlayers
dramatically reduce the formation energies of the films, suggesting a
surfactant-like action. (4) During the first few monolayers of growth, Ga or As
atoms are likely to be liberated from the interface and diffuse to the Fe film
surface. Magnetism plays an important auxiliary role for these processes, even
in the dilute limit of atomic adsorption. Most of the films exhibit
ferromagnetic order even at half-monolayer coverage, while certain
adlayer-capped films show a slight preference for antiferromagnetic order.Comment: 11 two-column pages, 12 figures, to appear in Phys. Rev.