Theory of non-collinear interactions beyond Heisenberg exchange; applications to bcc Fe

Abstract

We show for a simple non-collinear configuration of the atomistic spins (in particular, where one spin is rotated by a finite angle in a ferromagnetic background) that the pairwise energy variation computed in terms of multiple scattering formalism cannot be fully mapped onto a bilinear Heisen- berg spin model even in the lack of spin-orbit coupling. The non-Heisenberg terms induced by the spin-polarized host appear in leading orders in the expansion of the infinitesimal angle variations. However, an Eg-T2g symmetry analysis based on the orbital decomposition of the exchange param- eters in bcc Fe leads to the conclusion that the nearest neighbor exchange parameters related to the T2g orbitals are essentially Heisenberg-like: they do not depend on the spin configuration, and can in this case be mapped onto a Heisenberg spin model even in extreme non-collinear cases.

References in corpus (3)

• Mapping the magnetic exchange interactions from first principles: Anisotropy anomaly and application to Fe, Ni, and Co
• Noncollinear Magnetic Order Stabilized by Entangled Spin-Orbital Fluctuations
• Magnetic correlations beyond the Heisenberg model in an Fe monolayer on Rh(001)

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