Defect-induced strong ferromagnetism in Cr-doped In2O3 from first-principles theory
2010 (English)In: Solid State Communications, ISSN 0038-1098, E-ISSN 1879-2766, Vol. 150, no 13-14, 663-665 p.Article in journal (Refereed) Published
We demonstrate by means of first-principles calculations that the high Curie temperature observed in Cr-doped In2O3 is mediated by intrinsic p-type defects, namely In vacancies or O interstitials. Charge transfer from Cr 3d states to the hole states formed by these defects makes Cr ions in the mixed valence state, giving rise to a strong ferromagnetic coupling. Calculated formation energies of various defects also show that doping Cr in In2O3 could greatly lower the formation energies of p-type intrinsic defects even in oxygen-deficient growth conditions. These results advance our understanding of the underlying physics of diluted magnetic oxides. (C) 2009 Elsevier Ltd. All rights reserved.
Place, publisher, year, edition, pages
2010. Vol. 150, no 13-14, 663-665 p.
Semiconductors, Impurities in semiconductors, Electronic band structure
IdentifiersURN: urn:nbn:se:uu:diva-136997DOI: 10.1016/j.ssc.2009.12.022ISI: 000276508300029OAI: oai:DiVA.org:uu-136997DiVA: diva2:377783