First-principle calculations based on the Vienna ab intio simulation package are used to determine the magnetic moment and anisotropy of Fe-containing layered permanent-magnet structures. Both artificial structures and less commonly considered natural magnets are considered. The former category includes multilayers that can or may be produced by different thin-film techniques, such as fcc(001) Pd-Fe, bcc(110) W-Fe, and bcc(001) Rh-Fe. The latter includes alloys of Fe with Rh, such as the C11b-ordered ferromagnet Fe2Rh. Our focus is on Pd2Fem, Rh2Fem, W2Fem multilayers (m < 4) and Fe2Rh. In all structures, the spin magnetic moment of the Fe is enhanced at the interface. At the interface, the Pd and Rh atoms are ferromagnetically coupled to the Fe, but the Fe-W coupling is antiferromagnetic. For Fe2Rh, strong uniaxial anisotropy is predicted.
ASJC Scopus subject areas
- Physics and Astronomy(all)