A1 Refereed original research article in a scientific journal
Variation of magnetic properties of Sr2FeMoO6 due to oxygen vacancies
Authors: Hoffmann M, Antonov VN, Bekenov LV, Kokko K, Hergert W, Ernst A
Publisher: IOP PUBLISHING LTD
Publication year: 2018
Journal: Journal of Physics: Condensed Matter
Journal name in source: JOURNAL OF PHYSICS-CONDENSED MATTER
Journal acronym: J PHYS-CONDENS MAT
Article number: ARTN 305801
Volume: 30
Issue: 30
Number of pages: 7
ISSN: 0953-8984
DOI: https://doi.org/10.1088/1361-648X/aacb8d(external)
Self-archived copy’s web address: https://research.utu.fi/converis/portal/detail/Publication/32173206(external)
Oxygen vacancies can be of utmost importance for improving or deteriorating physical properties of oxide materials. Here, we studied from first-principles the electronic and magnetic properties of oxygen vacancies in the double perovskite Sr2FeMoO6 (SFMO). We show that oxygen vacancies can increase the Curie temperature in SFMO, although the total magnetic moment is reduced at the same time. We found also that the experimentally observed valence change of the Fe ions from 3+ to 2+ in the x-ray magnetic circular dichroism (XMCD) measurements is better explained by oxygen vacancies than by the assumed mixed valence state. The agreement of the calculated x-ray absorption spectra and XMCD results with experimental data is considerably improved by inclusion of oxygen vacancies.
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