dc.contributor |
Háskóli Íslands |
dc.contributor |
University of Iceland |
dc.contributor.author |
Szilva, A. |
dc.contributor.author |
Thonig, D. |
dc.contributor.author |
Bessarab, Pavel |
dc.contributor.author |
Kvashnin, Y. O. |
dc.contributor.author |
Rodrigues, D. C. M. |
dc.contributor.author |
Cardias, R. |
dc.contributor.author |
Pereiro, M. |
dc.contributor.author |
Nordström, L. |
dc.contributor.author |
Bergman, A. |
dc.contributor.author |
Klautau, A. B. |
dc.contributor.author |
Eriksson, O. |
dc.date.accessioned |
2018-01-25T16:25:51Z |
dc.date.available |
2018-01-25T16:25:51Z |
dc.date.issued |
2017-10-10 |
dc.identifier.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 |
dc.identifier.issn |
2469-9950 |
dc.identifier.issn |
2469-9969 (eISSN) |
dc.identifier.uri |
https://hdl.handle.net/20.500.11815/539 |
dc.description.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. |
dc.description.sponsorship |
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. |
dc.format.extent |
144413 |
dc.language.iso |
en |
dc.publisher |
American Physical Society (APS) |
dc.relation |
"info:eu-repo/grantAgreement/EC/FP7/600382" |
dc.relation.ispartofseries |
Physical Review B;96(14) |
dc.rights |
info:eu-repo/semantics/openAccess |
dc.subject |
Ferromagnetism |
dc.subject |
Noncollinear magnets |
dc.subject |
Density functional theory |
dc.subject |
Heisenberg model |
dc.subject |
Segulmagn |
dc.subject |
Bylgjufræði |
dc.subject |
Skammtafræði |
dc.title |
Theory of noncollinear interactions beyond Heisenberg exchange: Applications to bcc Fe |
dc.type |
info:eu-repo/semantics/article |
dcterms.license |
©2017 American Physical Society |
dc.description.version |
Peer Reviewed |
dc.identifier.journal |
Physical Review B |
dc.identifier.doi |
10.1103/PhysRevB.96.144413 |
dc.contributor.department |
Raunvísindastofnun (HÍ) |
dc.contributor.department |
Science Institute (UI) |
dc.contributor.school |
Verkfræði- og náttúruvísindasvið (HÍ) |
dc.contributor.school |
School of Engineering and Natural Sciences (UI) |