Tuning the ferromagnetism in Mn-Zn-O by intrinsic defects
2007 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 19, no 38, 386232- p.Article in journal (Refereed) Published
In this work we employ density-functional theory (DFT) within the generalized-gradient approximation (GGA) to study the structural and electronic properties of Mn-doped ZnO in the presence and absence of vacancies. We find that pure Mn-doped ZnO exhibits anti-ferromagnetic behaviour for Mn concentrations smaller than 8.3%. We also show that oxygen vacancies in Mn-doped ZnO favour anti-ferromagnetism, whereas Zn vacancies stabilize the ferromagnetic behaviour.
Place, publisher, year, edition, pages
2007. Vol. 19, no 38, 386232- p.
IdentifiersURN: urn:nbn:se:uu:diva-144024DOI: 10.1088/0953-8984/19/38/386232ISI: 000249255400034OAI: oai:DiVA.org:uu-144024DiVA: diva2:392152