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We carried out first-principle calculations of magnetocrystalline anisotropy of L1 0 -FePt thin films terminated by either perfect Fe (Pt) layers or defect surfaces, including vacancies or substituted surface atoms. Inspired by the experimental strategy for determining magnetic anisotropy, we present here a theoretical model for analyzing volume and surface magnetic anisotropies for L1 0 -FePt thin films with different surface terminations. We demonstrate that surface anisotropy does not depend solely on the film thickness, but also on the atomic environment of the surface layer. Perpendicular surface anisotropy of L1 0 -FePt thin films reaches its maximum with full Pt termination, which decreases with increasing Pt vacancies and becomes parallel to the surface for a full Fe surface. In the case of mixed surfaces, surface anisotropy of (3Pt,1Fe) is enhanced compared to platinum-rich surface with one vacancy, and tends to be more in-plane for an iron-rich surface (3Fe,1Pt). Our results could be used to study surface anisotropy effects on L1 0 -FePt surfaces by mean of classical magnetic models, and they are very promising for the development of high density magnetic data storage such as magnetic memory. |
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