Out- versus in-plane magnetic anisotropy of free Fe and Co nanocrystals: tight-binding and first-principles studies

Abstract

We report tight-binding (TB) and Density Function Theory (DFT) calculations of magnetocrystalline anisotropy energy (MAE) of free Fe (body centerd cubic) and Co (face centered cubic) slabs and nanocrystals. The nanocrystals are truncated square pyramids which can be obtained experimentally by deposition of metal on a SrTiO${}_3$(001) substrate. For both elements our local analysis shows that the total MAE of the nanocrystals is largely dominated by the contribution of (001) facets. However, while the easy axis of Fe(001) is out-of-plane, it is in-plane for Co(001). This has direct consequences on the magnetic reversal mechanism of the nanocrystals. Indeed, the very high uniaxial anisotropy of Fe nanocrystals makes them a much better potential candidate for magnetic storage devices.

8 pages, 7 figures

References in corpus (3)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Magnetic Anisotropy and Magnetization Dynamics of Individual Atoms and Clusters of Fe and Co on Pt(111)
• Magnetism of iron: from the bulk to the monoatomic wire

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