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Calculations of magnetic states and minimum energy paths of transitions using a noncollinear extension of the Alexander-Anderson model and a magnetic force theorem
University of Iceland, Iceland;St. Petersburg State University, Russia.ORCID iD: 0000-0003-3351-7172
St. Petersburg State University, Russia;St. Petersburg National Research University of Information Technologies, Russia.
University of Iceland, Iceland;Aalto University, Finland.
2014 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 89, no 21, article id 214424Article in journal (Refereed) Published
Abstract [en]

Calculations of stable and metastable magnetic states as well as minimum energy paths for transitions between states are carried out using a noncollinear extension of the multiple-impurity Alexander-Anderson model and a magnetic force theorem which is derived and used to evaluate the total energy gradient with respect to orientation of magnetic moments-an important tool for efficient navigation on the energy surface. By using this force theorem, the search for stable and metastable magnetic states as well as minimum energy paths revealing the mechanism and activation energy of transitions can be carried out efficiently. For Fe monolayer on W(110) surface, the model gives magnetic moment as well as exchange coupling between nearest and next-nearest neighbors that are in good agreement with previous density functional theory calculations. When applied to nanoscale Fe islands on this surface, the magnetic moment is predicted to be 10% larger for atoms at the island rim, explaining in part an experimentally observed trend in the energy barrier for magnetization reversal in small islands. Surprisingly, the magnetic moment of the atoms does not change much along the minimum energy path for the transitions, which for islands containing more than 15 atom rows along either [001] or [1 (1) over bar0] directions involves the formation of a thin, temporary domain wall. A noncollinear magnetic state is identified in a 7 x 7 atomic row Fe island where the magnetic moments are arranged in an antivortex configuration with the central ones pointing out of the (110) plane. This illustrates how the model can describe complicated exchange interactions even though it contains only a few parameters. The minimum energy path between this antivortex state and the collinear ground state is also calculated and the thermal stability of the antivortex state estimated.

Place, publisher, year, edition, pages
American Physical Society, 2014. Vol. 89, no 21, article id 214424
National Category
Condensed Matter Physics
Research subject
Physics, Condensed Matter Physics
Identifiers
URN: urn:nbn:se:lnu:diva-116412DOI: 10.1103/PhysRevB.89.214424ISI: 000337943500003Scopus ID: 2-s2.0-84903531828OAI: oai:DiVA.org:lnu-116412DiVA, id: diva2:1697193
Available from: 2022-09-20 Created: 2022-09-20 Last updated: 2022-09-23Bibliographically approved

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Bessarab, Pavel F.

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