First-principles local density full-potential linearized augmented plane wa
ve (FLAPW) calculations have been performed to investigate the magnetism an
d magnetic anisotropy in ferromagnetic NiFe, antiferromagnetic NiMn and the
ir interface. We found that the magnetic moments of the Fe atom in NiFe and
that of the Mn atom in NiMn are enhanced at their surface compared to thei
r bulk states, The magneto-crystalline anisotropy (MCA) is also drastically
influenced by the environment. Bulk NiFe and NiMn show slightly perpendicu
lar and in-plane easy magnetic axes, respectively, However, the effects of
the surface change their MCA direction and strength. For the interface betw
een NiFe and NiMn, where the magneto-crystalline anisotropy is dominated by
the NiMn layer, the interface effects may be important for discussing the
exchange bias.