Mapping the magnetic exchange interactions from first principles: Anisotropy anomaly and application to Fe, Ni, and Co

Abstract

Mapping the magnetic exchange interactions from model Hamiltonian to density functional theory is a crucial step in multi-scale modeling calculations. Considering the usual magnetic force theorem but with arbitrary rotational angles of the spin moments, a spurious anisotropy in the standard mapping procedure is shown to occur provided by bilinear-like contributions of high order spin interactions. The evaluation of this anisotropy gives a hint on the strength of non-bilinear terms characterizing the system under investigation.

11 pages, 1 figure

References in corpus (17)

• Ab-initio calculations of exchange interactions, spin-wave stiffness constants, and Curie temperatures of Fe, Co, and Ni
• Linear Response Calculations of Spin Fluctuations
• Chiral asymmetry of the spin-wave spectra in ultrathin magnetic films
• Exchange interaction parameters and adiabatic spin-wave spectra of ferromagnets: A "renormalized magnetic force theorem"
• Wannier-function approach to spin excitations in solids
• First-principles prediction of high Curie temperature for ferromagnetic bcc-Co and bcc-FeCo alloys and its relevance to tunneling magnetoresistance
• Spin Orbit Coupling and Spin Waves in Ultrathin Ferromagnets: The Spin Wave Rashba Effect
• Calculations of Magnetic Exchange Interactions in Mott--Hubbard Systems
• Magnetic susceptibility, exchange interactions and spin-wave spectra in the local spin density approximation
• The exchange coupling and spin waves in metallic magnets: removal of the long-wave approximation
• DFT calculation of the intermolecular exchange interaction in the magnetic Mn${}_4$ dimer
• Dynamical magnetic excitations of nanostructures from first-principles
• Non-collinear Korringa-Kohn-Rostoker Green function method: Application to 3d nanostructures on Ni(001)
• Changing the Magnetic Configurations of Nanoclusters Atom-by-Atom
• Fe clusters on Ni and Cu: size and shape dependence of the spin moment
• Exchange coupling in transition-metal nano-clusters on Cu(001) and Cu(111) surfaces
• Non-collinear magnetism of Cr nanostructures on Fe${}_{3ML}$/Cu(001): first--principles and experimental investigations

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