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Stability of ferromagnetic phase in Fe-doped AlH3
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science. (Condensed Matter Theory Grp)
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science. (Condensed Matter Theory Grp)
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science. (Condensed Matter Theory Grp)
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science. (Condensed Matter Theory Grp)
2009 (English)In: Europhysics letters, ISSN 0295-5075, E-ISSN 1286-4854, Vol. 85, no 6, 67006- p.Article in journal (Refereed) Published
Abstract [en]

We have carried out a systematic theoretical investigation of Fe-doped AlH3 to study its magnetic properties and to assess the stability of the ferromagnetic phase in this material. All calculations were performed using the projector augmented-wave method and generalized-gradient approximation (GGA) as well as GGA+U. The magnetic moment is found to be constant at 1.1 mu(B) per Fe-atom in the ferromagnetic configuration for distances between adjacent Fe atoms varying from 3.25 angstrom to 7.41 angstrom. We conclude that the ferromagnetic phase in Fe-doped AlH3 is stable both for near and far configurations of Fe. The stability of the ferromagnetic phase is due to the holes created by Fe-doping and the larger level splitting of the interacting gap states within the ferromagnetic phase. Copyright (C) EPLA, 2009

Place, publisher, year, edition, pages
2009. Vol. 85, no 6, 67006- p.
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Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-129040DOI: 10.1209/0295-5075/85/67006ISI: 000266413800023OAI: oai:DiVA.org:uu-129040DiVA: diva2:337492
Available from: 2010-08-06 Created: 2010-08-05 Last updated: 2017-12-12Bibliographically approved

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Scheicher, Ralph H.Ahuja, Rajeev

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