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A theoretical study of half-metallic antiferromagnetic diluted magnetic semiconductors
Institut für Festkörperforschung, Forschungszentrum Jülich.ORCID iD: 0000-0003-4341-5663
2007 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 19, no 21, 216220- p.Article in journal (Refereed) Published
Abstract [en]

Based on electronic structure calculations and statistical methods, we investigate a new class of materials for spintronic applications: half-metallic antiferromagnetic diluted magnetic semiconductors (HMAF-DMSs). As shown recently by Akai and Ogura, these DMS systems contain equal amounts of low-valent and high-valent transition metal impurities, such that their local moments exactly compensate each other. We present ab initio calculations using the KKR-CPA and the PAW-supercell methods, and show that quite a few half-metallic antiferromagnets should exist. Our calculations demonstrate that the exchange coupling parameters in these systems are dominated by a strong antiferromagnetic interaction between the two impurities. The Néel temperatures are calculated by Monte Carlo simulations and in mean-field approximation. It is shown that the latter method strongly overestimates the critical temperatures and that the more realistic values obtained by Monte Carlo techniques are rather low.

Place, publisher, year, edition, pages
IOP , 2007. Vol. 19, no 21, 216220- p.
Keyword [en]
Antiferromagnetic materials, Crystal impurities, Electronic structure, Mean field theory, Monte Carlo methods, Temperature measurement
National Category
Condensed Matter Physics
URN: urn:nbn:se:kth:diva-64535DOI: 10.1088/0953-8984/19/21/216220ISI: 000246568100030OAI: diva2:483086
QC 20120202Available from: 2012-01-24 Created: 2012-01-24 Last updated: 2012-02-02Bibliographically approved

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