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Density functional calculations with a large unit cell have been conducted toinvestigate adsorption, segregation and magnetization of Mn monomer onGaAs(110). The Mn adatom is rather mobile along the trench on GaAs(110), withan energy barrier of 0.56 eV. The energy barrier for segregation across thetrenches is nevertheless very high, 1.67 eV. The plots of density of statesdisplay a wide gap in the majority spin channel, but show plenty ofmetal-induced gap states in the minority spin channel. The Mn atoms might beinvisibl in scanning tunneling microscope (STM) images taken with small biases,due to the directional p-d hybridization. For example, one will more likely seetwo bright spots on Mn/GaAs(110), despite the fact that there is only one Mnadatom in the system

Adsorption, segregation, and magnetization of a single Mn adatom on the GaAs(110) surface