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First-principles theory of electronic structure and magnetism of Cr nano-islands on Pd(111)
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory. Fed Univ Para, Fac Fis, BR-66075110 Belem, Para, Brazil..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
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2017 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 29, no 2, 025807Article in journal (Refereed) Published
Abstract [en]

We report on the electronic structure, magnetic moments and exchange interactions of one-and two-dimensional Cr clusters on a Pd(1 1 1) substrate, using a real-space method based on density functional theory in the local spin density approximation. We find in general that for the investigated clusters, the magnetic moments are sizeable and almost entirely of spin-character. We demonstrate that the interactions in general are dominated by nearest-neighbor antiferromagnetic Heisenberg form, which implies that Cr on Pd(1 1 1) forms an ideal model system, in which clusters of almost any shape and size can be investigated from a Heisenberg Hamiltonian, using a nearest-neighbor exchange model. We have also found that complex magnetic structures can be realized for linear chains of Cr, due to a competition between exchange interaction and a weaker Dzyaloshinskii-Moriya interaction.

Place, publisher, year, edition, pages
2017. Vol. 29, no 2, 025807
Keyword [en]
nanomagnetism, electronic structure, metallic nanowires
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-311166DOI: 10.1088/0953-8984/29/2/025807ISI: 000388615900007OAI: oai:DiVA.org:uu-311166DiVA: diva2:1059510
Funder
Knut and Alice Wallenberg Foundation, 2013.0020 2012.0031Swedish Research Council
Available from: 2016-12-22 Created: 2016-12-22 Last updated: 2016-12-22Bibliographically approved

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de Melo Rodrigues, Debora CarvalhoPereiro, ManuelBergman, AndersEriksson, Olle
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