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Theory of noncollinear interactions beyond Heisenberg exchange: Applications to bcc Fe
Department of Physics and Astronomy, Division of Materials Theory, Uppsala University, Uppsala, Sweden.
Department of Physics and Astronomy, Division of Materials Theory, Uppsala University, Uppsala, Sweden.
Science Institute of the University of Iceland, Reykjavik, Iceland; Department of Nanophotonics and Metamaterials, ITMO University, St. Petersburg, Russia.
Department of Physics and Astronomy, Division of Materials Theory, Uppsala University, Uppsala, Sweden.
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2017 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 96, no 14, 144413Article in journal (Refereed) Published
Abstract [en]

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-2g 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-2g 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.

Place, publisher, year, edition, pages
American Physical Society, 2017. Vol. 96, no 14, 144413
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:oru:diva-62065DOI: 10.1103/PhysRevB.96.144413ISI: 000412699400003OAI: oai:DiVA.org:oru-62065DiVA: diva2:1153415
Funder
Swedish Research Council
Note

Funding Agencies:

KAW Foundation  2012.0031  2013.0020 

eSSENCE  

CEA-Enhanced Eurotalents  

FP7 Marie Sklodowska-Curie COFUND Programme  600382 

Icelandic Research Fund  163048-052 

Ministry of Education and Science of the Russian Federation  14.Y26.31.0015 

Brazilian National Council for Scientific and Technological Development (CNPq), Brazil  

Brazilian Federal Agency for Support and Evaluation of Graduate Education (CAPES) 

Available from: 2017-10-30 Created: 2017-10-30 Last updated: 2017-12-13Bibliographically approved

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Eriksson, Olle

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