A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä
Variation of magnetic properties of Sr2FeMoO6 due to oxygen vacancies
Tekijät: Hoffmann M, Antonov VN, Bekenov LV, Kokko K, Hergert W, Ernst A
Kustantaja: IOP PUBLISHING LTD
Julkaisuvuosi: 2018
Journal: Journal of Physics: Condensed Matter
Tietokannassa oleva lehden nimi: JOURNAL OF PHYSICS-CONDENSED MATTER
Lehden akronyymi: J PHYS-CONDENS MAT
Artikkelin numero: ARTN 305801
Vuosikerta: 30
Numero: 30
Sivujen määrä: 7
ISSN: 0953-8984
DOI: https://doi.org/10.1088/1361-648X/aacb8d
Rinnakkaistallenteen osoite: https://research.utu.fi/converis/portal/detail/Publication/32173206
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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