Magnetism of Co overlayers and nanostructures on W(001): A first principles study
2008 (English)In: Journal of Magnetism and Magnetic Materials, ISSN 0304-8853, Vol. 320, no 6, 1173-1179 p.Article in journal (Refereed) Published
The magnetic properties of Co nanostructures and a Co monolayer on W(001) have been studied in the framework of density functional theory. Different geometries such as planar and three-dimensional clusters have been considered, with cluster sizes varying between 2 and 13 atoms. The calculations were performed using the real-space linear muffin-tin orbital method (RS-LMTO-ASA). With respect to the stability of the magnetic state, we predict an antiferromagnetic (AFM) structure for the ground state of the planar Co clusters and a ferromagnetic (FM) state for the three-dimensional clusters. For the three-dimensional clusters, one of the AFM arrangements leads to frustration due to the competing FM and AFM exchange interactions between different atoms in the cluster, and gives rise to a non-collinear state with energy close to that of the FM ground state. The relative role of the Co-Co and Co-W exchange interactions is also investigated.
Place, publisher, year, edition, pages
2008. Vol. 320, no 6, 1173-1179 p.
density functional calculations, nanoclusters, metal-metal magnetic heterostructures
IdentifiersURN: urn:nbn:se:uu:diva-94301DOI: 10.1016/j.jmmm.2007.11.011ISI: 000254416300066OAI: oai:DiVA.org:uu-94301DiVA: diva2:168102