O. Elmouhssine et al., P(2X2) VERSUS C(2X2) CONFIGURATIONS FOR ONE MN MONOLAYER ON FE(001), Physical review. B, Condensed matter, 55(12), 1997, pp. 7410-7413
The spin polarization of a Mn monolayer on Fe(001) and the interfacial
magnetic coupling have been investigated using the tight-binding line
ar muffin-tin orbital method. We have studied five spin configurations
for the Mn monolayer and found that the two lowest in energy, namely
c(2 x 2) and p(2 x 2)up arrow (the up-arrow up arrow indicates that th
e magnetization of the Mn layer points in the same direction than the
Fe substrate one), are nearly degenerate. These two configurations lea
d to different interfacial magnetic couplings and mean surface magneti
zations. This result sheds some Light onto recent contradictory experi
mental data.