Ab initio calculations of interfacial magnetism in Fe/Mo superlattices

Ab initio calculations have been performed on Fe/Mo(1 0 0) superlattices in order to study the interfacial magnetic properties and layer thickness effect on the magnetic moments. In most cases, the magnetic moments of interfacial Fe monolayers are always smaller than those of the inner layers, and the induced magnetic moments of interfacial Mo monolayers oriented in the opposite direction. Calculation results show that the Fe layers are ferromagnetic when n = 3. As the thickness of the Mo layers increases, the influence of the Mo layer increases and the magnetic state of the Fe layer gradually changes into an antiferromagnetic or non-magnetic state. The change of magnetic moments of Fe/Mo superlattices is in agreement with the experimentally observed oscillation periods.