Theory of non-collinear interactions beyond Heisenberg exchange; applications to bcc Fe
| Autor: | Danny Thonig, Olle Eriksson, Lars Nordström, A. B. Klautau, Yaroslav Kvashnin, Pavel F. Bessarab, R. Cardias, Anders Bergman, Debora Carvalho de Melo Rodrigues, Attila Szilva, Manuel Pereiro |
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| Přispěvatelé: | Raunvísindastofnun (HÍ), Science Institute (UI), Verkfræði- og náttúruvísindasvið (HÍ), School of Engineering and Natural Sciences (UI), Háskóli Íslands, University of Iceland |
| Rok vydání: | 2017 |
| Předmět: |
FOS: Physical sciences
Heisenberg model 02 engineering and technology 01 natural sciences Condensed Matter::Materials Science Simple (abstract algebra) 0103 physical sciences Fysik 010306 general physics Spin (physics) Skammtafræði Physics Condensed Matter - Materials Science Condensed matter physics Spins Bylgjufræði Materials Science (cond-mat.mtrl-sci) 021001 nanoscience & nanotechnology Noncollinear magnets Ferromagnetism Physical Sciences Density functional theory Energy variation Segulmagn Condensed Matter::Strongly Correlated Electrons 0210 nano-technology |
| DOI: | 10.48550/arxiv.1706.06560 |
| Popis: | 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. Supports from the Swedish Research Council (VR), the KAW foundation (grants 2012.0031 and 2013.0020) and eSSENCE are acknowledged.The computations were performed on resources provided by the Swedish National Infrastructure for Computing (SNIC). A. Bergman acknowledges support from CEA-Enhanced Eurotalents, co-funded by FP7 Marie Sk lodowska-Curie COFUND Programme (Grant Agreement n 600382). P. F. Bessarab acknowledges support from the Icelandic Research Fund (Grant No. 163048-052) and the mega-grant of the Ministry of Education and Science of the Russian Federation (grant no. 14.Y26.31.0015). R. Cardias, D. C. M. Rodrigues, and A. B. Klautau acknowledge financial support from CAPES and CNPq, Brazil. |
| Databáze: | OpenAIRE |
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