Surface Magnetism of One Monolayer Mn Atoms on GaAs(001) Surface

The surface magnetism of one monolayer Mn atoms on GaAs(001) surface is studied by the self-consistent tight-binding linear muffin-tin orbital method. It is found that the magnetic ordered phases (ferromagnetic and antiferromagnetic) are more favorable than the paramagnetic one, the density of states peak far below the Fermi level observed in synchrotron radiation photoemission study has been identified as due to the contribution of Mn 3d majority states.