Titill: | Theory of noncollinear interactions beyond Heisenberg exchange: Applications to bcc Fe |
Höfundur: |
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Útgáfa: | 2017-10-10 |
Tungumál: | Enska |
Umfang: | 144413 |
Háskóli/Stofnun: | Háskóli Íslands University of Iceland |
Svið: | Verkfræði- og náttúruvísindasvið (HÍ) School of Engineering and Natural Sciences (UI) |
Deild: | Raunvísindastofnun (HÍ) Science Institute (UI) |
Birtist í: | Physical Review B;96(14) |
ISSN: | 2469-9950 2469-9969 (eISSN) |
DOI: | 10.1103/PhysRevB.96.144413 |
Efnisorð: | Ferromagnetism; Noncollinear magnets; Density functional theory; Heisenberg model; Segulmagn; Bylgjufræði; Skammtafræði |
URI: | https://hdl.handle.net/20.500.11815/539 |
Tilvitnun: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
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Útdráttur: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
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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
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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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Leyfi:©2017 American Physical Society
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