5 research outputs found
First Principles Calculations of Fe on GaAs (100)
We have calculated from first principles the electronic structure of 0.5
monolayer upto 5 monolayer thick Fe layers on top of a GaAs (100) surface. We
find the Fe magnetic moment to be determined by the Fe-As distance. As
segregates to the top of the Fe film, whereas Ga most likely is found within
the Fe film. Moreover, we find an asymmetric in-plane contraction of our
unit-cell along with an expansion perpendicular to the surface. We predict the
number of Fe 3d-holes to increase with increasing Fe thickness on -doped
GaAs.Comment: 9 pages, 14 figures, submitted to PR