MAGNETIC EXCHANGE COUPLING OF 3D METAL MONOLAYERS ON FE(001)

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.