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

Szilva, Attila (author)
Uppsala universitet,Materialteori,Uppsala University, Sweden
Thonig, Danny, 1986- (author)
Uppsala universitet,Materialteori,Uppsala University, Sweden
Bessarab, Pavel F. (author)
Science Institute, University of Iceland, Reykjavik, Iceland; Department of Nanophotonics and Metamaterials, ITMO University, St. Petersburg, Russia,Univ Iceland, Sci Inst, IS-107 Reykjavik, Iceland.;ITMO Univ, Dept Nanophoton & Metamat, St Petersburg 197101, Russia.
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Kvashnin, Yaroslav (author)
Uppsala universitet,Materialteori,Uppsala University, Sweden
Rodrigues, Debora C. M. (author)
Uppsala universitet,Materialteori,Univ Fed Para, Fac Fis, BR-66075110 Belem, Para, Brazil.,Uppsala University, Sweden;Universidade Federal do Pará, Brazil
Cardias, R (author)
Uppsala University, Sweden;Universidade Federal do Pará, Brazil
Pereiro, Manuel (author)
Uppsala universitet,Materialteori,Uppsala University, Sweden
Nordström, Lars (author)
Uppsala universitet,Materialteori,Uppsala University, Sweden
Bergman, A (author)
Maison de la Simulation, USR 3441, CEA-CNRS-INRIA-Université Paris-Sud-Université de Versailles, Gif-sur-Yvette, France; Institut Nanosciences et Cryogénie (Inac) and Modeling and Exploration of Materials (MEM), Commissariat à l'Energie Atomique et aux Energies Alternatives (CEA), Grenoble, France,Faculdade de Física, Universidade Federal do Pará, Belém, Brazil,Univ Versailles, Univ Paris Sud, CEA, CNRS,INRIA,Maison Simulat,USR 3441, F-91191 Gif Sur Yvette, France.;CEA, INAC MEM, F-38000 Grenoble, France.,Univ Fed Para, Fac Fis, BR-66075110 Belem, Para, Brazil.
Klautau, A B (author)
Universidade Federal do Pará, Brazil
Eriksson, Olle, 1960- (author)
Uppsala universitet,Örebro universitet,Institutionen för naturvetenskap och teknik,Department of Physics and Astronomy, Division of Materials Theory, Uppsala University, Uppsala, Sweden,Materialteori,Uppsala University, Sweden;Örebro University, Sweden
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 (creator_code:org_t)
American Physical Society, 2017
2017
English.
In: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969. ; 96:14
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • 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 Eg-T2g 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 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 noncollinear cases.

Subject headings

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
NATURVETENSKAP  -- Fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Keyword

Condensed Matter Physics
Kondenserade materians fysik

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