Magnetic polarisation at the Fe/Co(1Â 1Â 0) interfaces

Using DACAPO code based on density functional theory (DFT) with plane wave basis set, the ionic cores being represented by ultra soft pseudo-potentials, and TB-LMTO-ASA method, we investigate the polarisation of Fe films on Co(1 1 0) substrate. Calculations with and without relaxation were carried out. We found that up to three Fe monolayers, a ferromagnetic order is the ground state. However, an antiferromagnetic coupling between Fe monolayers is observed for thicker films. A comparison between the results obtained for up to three Fe monolayers by both methods is reported.