We report systematic ab initio calculations for the magnetic moments,
the magnetic coupling and the interlayer relaxation of the whole 3d tr
ansition-metal series OI, Cr, Mn, Fe, Co, Ni) as monolayers on the Fe(
001) substrate. An energy analysis reveals that V and Cr prefer the la
yered antiferromagnetic coupling, Mn favors the c(2x2) ferrimagnetic s
uperstructure and Fe, Co and Ni monolayers favor the ferromagnetic cou
pling to Fe(001). Cr and Mn on Fe exhibit a delicate interdependence o
f magnetism, film thickness and structure. (C) 1998 Elsevier Science L
td.