uu.seUppsala University Publications
Change search
ReferencesLink to record
Permanent link

Direct link
Variation of the effective exchange parameter across 3d-transition-metal series
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics. (Condensed Matter Theory group)
2005 (English)In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 97, no 10, 10A317- p.Article in journal, Meeting abstract (Refereed) Published
Abstract [en]

The so-called effective exchange parameter J0 of the classical Heisenberg Hamiltonian for magnetic interactions is investigated as a function of volume and occupation of the valence band across 3d-transition-metal series in face-centered-cubic (fcc) metals, from Mn to Ni. We show that there exists a particular area in the volume-electron concentration phase space, where the effective exchange parameter behaves anomalously. The peculiarity, in combination with deviations of the electronic structure in real alloys from the rigid-band behavior, should lead to highly frustrated magnetic configurations that were predicted theoretically for the fcc Invar alloys.

Place, publisher, year, edition, pages
2005. Vol. 97, no 10, 10A317- p.
National Category
Natural Sciences
URN: urn:nbn:se:uu:diva-93152DOI: 10.1063/1.1855204OAI: oai:DiVA.org:uu-93152DiVA: diva2:166540
THE 49TH ANNUAL CONFERENCE ON MAGNETISM AND MAGNETIC MATERIALS / Electronic Structure and Itinerant Magnetism, November, 2004, Jacksonville, Florida
Available from: 2005-05-03 Created: 2005-05-03 Last updated: 2013-06-14Bibliographically approved
In thesis
1. Influence of Global Composition and Local Environment on the Spectroscopic and Magnetic Properties of Metallic Alloys
Open this publication in new window or tab >>Influence of Global Composition and Local Environment on the Spectroscopic and Magnetic Properties of Metallic Alloys
2005 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Theoretical investigations of spectroscopic and magnetic properties of metallic systems in the bulk, as well as in nanostructured materials, have been performed within the density functional theory. The major part of the present work studies the differences between binding energies of electrons tightly bound to the atoms, the so-called core electrons (in contrast with the valence electrons), that is, core-level binding energy shift (CLS).

By comparison between corresponding elemental core-levels for atoms situated in different chemical environments we obtain fundamental understanding of bonding properties of materials. The method of choice was the complete screening picture, which includes initial and final state effects on the same footing. The usefulness of CLS stems from that it is sensitive to differences in the chemical environment of an atom, which can be affected on one hand by the global composition of e.g. disordered materials, surfaces and interfaces, and on the other hand by the very local environment around an atom. Here CLSs have been obtained for both components in the fcc random alloys AgPd, CuPd, CuNi, CuPt, CuAu, PdAu, NiPd and NiPt. Moreover the model was extended to the Auger kinetic energy shift for the LMM Auger transition in AgPd alloys. Studies were also applied to the near surface and interface regions of PdMn nano structures on Pd(100), thin CuPd and AgPd films on inert Ru(0001), and at interfaces. The disorder broadening on CLS due to local environment effects was calculated in selected alloys.

A part of the thesis concern investigations related to the magnetic ordering in Invar alloys, including the influence of local environment effects. A study was made for the dependence of effective exchange parameter on the electron concentration, volume and local chemical composition.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2005. x+58 p.
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 62
Physics, core level shift, random alloy, first principles simulations, density functional theory, auger kinetic energy, Invar alloys, exchange parameter, classical Heisenberg Hamiltonian, complete screening, transition state, disorder broadening, Fysik
National Category
Physical Sciences
urn:nbn:se:uu:diva-5823 (URN)91-554-6276-6 (ISBN)
Public defence
2005-05-25, Polhemsalen, Ångström laboratoriet, Lägerhyddsv. 1, Uppsala, 10:15
Available from: 2005-05-03 Created: 2005-05-03Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text
By organisation
Department of Physics
In the same journal
Journal of Applied Physics
Natural Sciences

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 181 hits
ReferencesLink to record
Permanent link

Direct link