First-principles calculations of magnetic and electronic structures around surfaces and interfaces of magnetic multi-layered structure

Electronic and magnetic structures of ferromagnetic (FM)/non-magnetic (NM) and FM/antiferromagnetic (AF) bi-layer systems are calculated by the first principles approach. For the FM/NM system, we focus on the Co/Cu multi-layered structure whose interfacial layer is assumed to have a mixed composition of Co and Cu atoms, and show a possibility that Co atoms at the interface play a significant role as the spin-dependent scattering potentials. In the FM/AF system, we consider Fe or Co monolayer as FM layer and MnNi as AF layers. It is predicted that the Mn moments adjacent to FM layer are forced to align the FM moments, and those of under layer go gradually to anti-parallel alignment as in the bulk MnNi.