Magnetocrystalline anisotropy of Fe and Co slabs and clusters on SrTiO3 by first-principles

Article

关键词: PERPENDICULAR MAGNETIC-ANISOTROPY;    DENSITY-FUNCTIONAL THEORY;    MULTILAYERS;    POLARIZATION;    MONOLAYERS;    MOMENT;    LIMIT;   

DOI  :  10.1103/PhysRevB.93.144405

来源: SCIE

【 摘 要 】

In this paper, we present a detailed theoretical investigation of the electronic and magnetic properties of ferromagnetic slabs and clusters deposited on SrTiO3 via first-principles calculations, with a particular emphasis on the magnetocrystalline anisotropy (MCA). We found that in the case of Fe ultrathin films deposited on SrTiO3 the effect of the interface is to quench the MCA whereas for Co we observe a spin reorientation from in-plane to out-of-plane as compared to the free surface. We also find a strong enhancement of MCA for small clusters upon deposition on a SrTiO3 substrate. The origin of this enhancement of MCA is attributed to the hybridization between the substrate and the d orbitals of the cluster extending in-plane for Fe and out-of-plane for Co. As a consequence, we predict that the Fe nanocrystals (even rather small) should be magnetically stable and are thus good potential candidates for magnetic storage devices.

【 授权许可】

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