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Finite-temperature interatomic exchange and magnon softening in Fe overlayers on Ir(001)
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory. Fed Univ Para, Fac Fis, Belem, Para, Brazil..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Fed Univ Para, Fac Fis, Belem, Para, Brazil..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
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2016 (English)In: PHYSICAL REVIEW B, ISSN 2469-9950, Vol. 94, no 1, 014413Article in journal (Refereed) Published
Resource type
Text
Abstract [en]

We evaluate how thermal effects soften the magnon dispersion in 6 layers of Fe(001) on top of Ir(001). We perform a systematic study considering noncollinear spin arrangement and calculate configuration-dependent exchange parameters J(ij)(nc) following the methodology described by Szilva et al. [Phys. Rev. Lett. 111, 127204 (2013)]. In addition, Monte Carlo simulations were performed in order to estimate the noncollinear spin arrangement as a function of temperature. Hence the J(ij)(nc)'s related to these configurations were calculated and used in an atomistic spin dynamics approach to evaluate the magnon spectra. Our results show good agreement with recent room-temperature measurements, and highlights how thermal effects produce magnon softening in this, and similar, systems.

Place, publisher, year, edition, pages
2016. Vol. 94, no 1, 014413
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-300459DOI: 10.1103/PhysRevB.94.014413ISI: 000379497400007OAI: oai:DiVA.org:uu-300459DiVA: diva2:951490
Funder
Swedish Research Council, 2013.0020; 2012.0031
Available from: 2016-08-09 Created: 2016-08-09 Last updated: 2017-04-12Bibliographically approved
In thesis
1. Electronic Structure and Atomistic Spin Dynamics of Nanostructured Materials
Open this publication in new window or tab >>Electronic Structure and Atomistic Spin Dynamics of Nanostructured Materials
2017 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

The theoretical studies of several magnetic materials are presented in this thesis. To each of them, it was investigated the electronic structure, by means of density functional theory calculations, and/or magnetization dynamics, in the context of atomistic spin dynamics (ASD).  For bulk properties, we evaluate the magnon spectra of the heavy rare earths (Gd, Tb, Dy, Ho, Er, and Tm), using the exchange parameters and magnetic moments from first-principles calculations in ASD simulations. Additionally, we performed Monte Carlo simulations that nicely reproduced the qualitative trend of lowering of the critical temperatures across the series. Next, we discuss about the microscopic mechanism of the vanishingly low magnetic anisotropy of Permalloy using the concept of the orbital moment anisotropy for Fe and Ni atoms in the alloy.  Turning to surface magnetism, we discuss the use of exchange parameters computed by a noncollinear formalism for 6 monolayers of Fe on the Ir(001) substrate, in order to have a more accurate description of magnons at finite temperature and to obtain good comparison with experimental data. Besides that, we also studied surface magnons on 3 and 9 Ni monolayers on Cu(001) and Cu(111) in order to track the significant surface and/or interface effects and contrast it to properties that are fcc Ni bulk-like. Likewise, we used the Monte Carlo method to estimate the critical temperatures of Ni surfaces and compared with experimental data.  Finally, in the field of low dimensional magnetism, we present the ab-initio calculations for the electronic structure of Cr nanostructures of diverse geometries adsorbed on the Pd(111) surface, with focus on the formation of non-collinear spin configurations, either due to geometric frustration or the spin-orbit coupling provided by the substrate.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2017. 39 p.
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 1510
National Category
Condensed Matter Physics
Research subject
Physics with spec. in Atomic, Molecular and Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-319994 (URN)978-91-554-9903-7 (ISBN)
Public defence
2017-06-02, Seminar room, Federal University of Pará, Av. Augusto Correa, 01., Belém, 13:15 (English)
Opponent
Supervisors
Available from: 2017-05-05 Created: 2017-04-12 Last updated: 2017-06-27Bibliographically approved

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