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Defect-induced strong ferromagnetism in Cr-doped In2O3 from first-principles theory
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.
2010 (engelsk)Inngår i: Solid State Communications, ISSN 0038-1098, E-ISSN 1879-2766, Vol. 150, nr 13-14, s. 663-665Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

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.

sted, utgiver, år, opplag, sider
2010. Vol. 150, nr 13-14, s. 663-665
Emneord [en]
Semiconductors, Impurities in semiconductors, Electronic band structure, energy, oxide
HSV kategori
Identifikatorer
URN: urn:nbn:se:kth:diva-19386DOI: 10.1016/j.ssc.2009.12.022ISI: 000276508300029Scopus ID: 2-s2.0-77649175421OAI: oai:DiVA.org:kth-19386DiVA, id: diva2:337433
Forskningsfinansiär
Swedish Research Council
Merknad
QC 20100525Tilgjengelig fra: 2010-08-05 Laget: 2010-08-05 Sist oppdatert: 2017-12-12bibliografisk kontrollert

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