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

Statistical Mechanics;Materials Science