Theory Department
Max Planck Institute of Microstructure Physics
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Negulyaev, N. N., Dorantes-Dávila, J., Niebergall, L., Juarez Reyes, L., Pastor, G. M., Stepanyuk, V. S.

Alloying route to tailor giant magnetic anisotropy in transition-metal nanowires
Physical Review B 87, (5),pp 054425/1-7 (2013)
First-principles theoretical investigations of one-dimensional ordered 3d-5d alloys reveal magnetic anisotropy energies E, which are extraordinary high for transition-metal nanostructures. The results show that ∆E of Pt-X and Ir-X wires with X ≡ Ti-Ni strongly oscillates as a function 3d-band filling showing both giant values (e.g., ∆E = 25, 58, and 57 meV/atom for Pt-Ni, Ir-Cr, and Ir-Ni) as well as modest enhancements (e.g., ∆E = 2.3 and 6.5 meV/atom for Pt-Cr and Pt-Fe). The robustness of the results with respect to strain and relaxation is demonstrated. The microscopic mechanisms behind the trends in ∆E are analyzed from a local perspective.

TH-2013-02