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Stoner Ferromagnetism in Hole-Doped CuMIIIAO2 with MIIIA = Al, Ga, and In
Department of Physics, University of Oslo, Norway.
Department of Physics, University of Oslo, Norway.ORCID iD: 0000-0002-9050-5445
2021 (English)In: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 13, no 25, p. 29770-29779Article in journal (Refereed) Published
Abstract [en]

Using density functional theory calculations, we examine the effect of hole doping on the magnetic and electronic properties of CuMIIIAO2, with MIIIA = Al, Ga, and In. CuMIIIAO2 nonmagnetic semiconductors switch to ferromagnetic half-metals upon hole doping. For CuAlO2, the nonmagnetic-to-ferromagnetic transition occurs for hole densities of ∼7 × 1019/cm3. Ferromagnetism arises from an exchange splitting of the electronic states at the valence band edge, and it can be attributed to the high-lying Cu-d states. Hole doping induced by cation vacancies and substitutional divalent dopants is also investigated. Interestingly, both vacancies and nonmagnetic divalent dopants result in the emergence of ferromagnetism.

Place, publisher, year, edition, pages
American Chemical Society (ACS) , 2021. Vol. 13, no 25, p. 29770-29779
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-357196DOI: 10.1021/acsami.1c00403ISI: 000670430100050PubMedID: 34152119Scopus ID: 2-s2.0-85110393508OAI: oai:DiVA.org:kth-357196DiVA, id: diva2:1918359
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QC 20241205

Available from: 2024-12-04 Created: 2024-12-04 Last updated: 2024-12-05Bibliographically approved

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Persson, Clas

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