Rg. Abal et al., MAGNETIC COUPLING OF 4D TRANSITION-METAL MONOLAYERS WITH BCC-FE AS A SUBSTRATE, Journal of physics. Condensed matter, 8(36), 1996, pp. 6607-6616
We make a systematic study of 4d transition metal monolayers epitaxial
ly grown on bcc-Fe(001). For this purpose we consider the slabs X/2Fe/
X and X/SFe/X (X = Mo, Tc, Ru, Rh and Pd) within a mean-field Hubbard
model. To parametrize the surfaces we add extra orbitals outside the s
lab to allow for electron spillover. This calculation gives a differen
t polarization for each of the five d orbitals of the transition metal
s. We find that Mo and Tc couple antiferromagnetically to Fe while Ru,
Rh and Pd couple ferromagnetically. Ru presents a more critical behav
iour than any other 4d transition metal.