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Berlin 2018 – scientific programme

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MA: Fachverband Magnetismus

MA 38: Theory of strongly correlated systems

MA 38.8: Talk

Thursday, March 15, 2018, 11:45–12:00, H 0110

Theory of noncollinear interactions beyond Heisenberg exchange: Applications to bcc Fe — •Attila Szilva1, Danny Thonig1, Pavel Bessarab2, Yaroslav Kvashnin1, Debora Rodrigues3, Ramon Cardias1, Manuel Pereiro1, Lars Nordström1, Anders Bergman1, Angela Klautau3, and Olle Eriksson11Department of Physics and Astronomy, Division of Materials Theory, Uppsala University, Box 516, SE-75120 Uppsala, Sweden — 2Science Institute of the University of Iceland, 107 Reykjavik, Iceland and Department of Nanophotonics and Metamaterials, ITMO University, 197101 St. Petersburg, Russia — 3Faculdade de Física, Universidade Federal do Pará, Belém, 66075-110, Brazil

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.

DOI: 10.1103/PhysRevB.96.144413

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