Title: | Theory of noncollinear interactions beyond Heisenberg exchange: Applications to bcc Fe |
Author: |
... 1 more authors Show all authors |
Date: | 2017-10-10 |
Language: | English |
Scope: | 144413 |
University/Institute: | Háskóli Íslands University of Iceland |
School: | Verkfræði- og náttúruvísindasvið (HÍ) School of Engineering and Natural Sciences (UI) |
Department: | Raunvísindastofnun (HÍ) Science Institute (UI) |
Series: | Physical Review B;96(14) |
ISSN: | 2469-9950 2469-9969 (eISSN) |
DOI: | 10.1103/PhysRevB.96.144413 |
Subject: | Ferromagnetism; Noncollinear magnets; Density functional theory; Heisenberg model; Segulmagn; Bylgjufræði; Skammtafræði |
URI: | https://hdl.handle.net/20.500.11815/539 |
Citation: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
|
|
Abstract: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.
|
|
Rights:©2017 American Physical Society
|