Metal-semiconductor interfaces: Magnetic and electronic properties and Schottky barrier inFen/(ZnSe)m(001) superlattices

Results of a systematic local-density study of the electronic and magnetic properties of ${\mathrm{Fe}}_{\mathit{n}}$/(ZnSe${)}_{\mathit{m}}$ [namely, ${\mathrm{Fe}}_1$/(ZnSe${)}_1$, ${\mathrm{Fe}}_3$/(ZnSe${)}_1$, and ${\mathrm{Fe}}_3$/(ZnSe${)}_2$] superlattices are presented. The effects of varying Fe and semiconductor layer thicknesses on the magnetic and electronic properties of the superlattice are analyzed. In particular, we found that (i) the enhanced Fe magnetism that characterizes the Fe-monolayer superlattice is suppressed as the Fe thickness is increased; (ii) some charge is transferred from the Fe layers into the ZnSe region; (iii) the interface effects are rapidly screened in the inner Fe layers; and (iv) a significant role on the Fe magnetism is played by the geometrical site coordination. Finally, for the thickest superlattice, the Schottky-barrier height is estimated.