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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 (engelsk)Inngår i: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 13, nr 25, s. 29770-29779Artikkel i tidsskrift (Fagfellevurdert) 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.

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American Chemical Society (ACS) , 2021. Vol. 13, nr 25, s. 29770-29779
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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

Tilgjengelig fra: 2024-12-04 Laget: 2024-12-04 Sist oppdatert: 2024-12-05bibliografisk kontrollert

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