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Theory of noncollinear interactions beyond Heisenberg exchange: Applications to bcc Fe

Theory of noncollinear interactions beyond Heisenberg exchange: Applications to bcc Fe


Title: Theory of noncollinear interactions beyond Heisenberg exchange: Applications to bcc Fe
Author: Szilva, A.
Thonig, D.
Bessarab, Pavel   orcid.org/0000-0003-3351-7172
Kvashnin, Y. O.
Rodrigues, D. C. M.
Cardias, R.
Pereiro, M.
Nordström, L.
Bergman, A.
Klautau, A. B.
... 1 more authors Show all authors
Date: 2017-10-10
Language: English
Scope: 144413
University/Institute: Háskóli Íslands
University of Iceland
School: Verkfræði- og náttúruvísindasvið (HÍ)
School of Engineering and Natural Sciences (UI)
Department: Raunvísindastofnun (HÍ)
Science Institute (UI)
Series: Physical Review B;96(14)
ISSN: 2469-9950
2469-9969 (eISSN)
DOI: 10.1103/PhysRevB.96.144413
Subject: Ferromagnetism; Noncollinear magnets; Density functional theory; Heisenberg model; Segulmagn; Bylgjufræði; Skammtafræði
URI: https://hdl.handle.net/20.500.11815/539

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Citation:

Szilva, A., Thonig, D., Bessarab, P. F., Kvashnin, Y. O., Rodrigues, D. C. M., Cardias, R., . . . Eriksson, O. (2017). Theory of noncollinear interactions beyond Heisenberg exchange: Applications to bcc Fe. Physical Review B, 96(14), 144413. doi:10.1103/PhysRevB.96.144413

Abstract:

We show for a simple noncollinear 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 Heisenberg spin model even in the absence 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 E g − T 2 g symmetry analysis based on the orbital decomposition of the exchange parameters in bcc Fe leads to the conclusion that the nearest-neighbor exchange parameters related to the T 2 g 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 noncollinear cases.

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©2017 American Physical Society

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