Journal
PHYSICAL REVIEW B
Volume 99, Issue 21, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.99.214426
Keywords
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Funding
- DARPA TEE Program [HR0011727183]
- Deutsche Forschungsgemeinschaft (DFG) [DU 1489/3-1]
- DFG [DU 1489/2-1, SPP 2137, SFB 1238]
- European Unions Horizon 2020 research and innovation programme [665095]
- DARPA TEE Program from DOI [HR0011831554]
- European Research Council (ERC) under the European Union [681405-DYNASORE]
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We compare three distinct computational approaches based on first-principles calculations within density functional theory to explore the magnetic exchange and the Dzyaloshinskii-Moriya interactions (DMI) of a Co monolayer on Pt(111), namely, (i) the method of infinitesimal rotations of magnetic moments based on the Korringa-Kohn-Rostoker (KKR) Green function method, (ii) the generalized Bloch theorem applied to spiraling magnetic structures and (iii) supercell calculations with noncollinear magnetic moments, the latter two being based on the full-potential linearized augmented plane wave (FLAPW) method. In particular, we show that the magnetic interaction parameters entering micromagnetic models describing the long-wavelength deviations from the ferromagnetic state might be different from those calculated for fast rotating magnetic structures, as they are obtained by using (necessarily rather small) supercell or large spin-spiral wave vectors. In the micromagnetic limit, which we motivate to use by an analysis of the Fourier components of the domain-wall profile, we obtain consistent results for the spin stiffness and DMI spiralization using methods (i) and (ii). The calculated spin stiffness and Curie temperature determined by subsequent Monte Carlo simulations are considerably higher than estimated from the bulk properties of Co, a consequence of a significantly increased nearest-neighbor exchange interaction in the Co monolayer (+50%). The calculated results are carefully compared with the literature.
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