Ferromagnetism carried by highly delocalized hybrid states in Sc-doped ZnO thin films
KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
Computational Physics and Materials Science (CPMS)
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AbstractWe present first-principles results for Sc-doped ZnOthin films. Neighboring Sc atoms in the surface and/or subsurface layers are found to be coupled ferromagnetically, where only two of the possible configurations induce spin polarization. In the first configuration, the polarization is carried by the Sc d states as expected for transition metaldoping. However, there is a second configuration which is energetically favorable. It is governed by polarized hybrid states of the Zns, O p, and Sc d orbitals. Such highly delocalized states can be an important ingredient for understanding the magnetism of dopedZnOthin films.
CitationBenali Kanoun M, Goumri-Said S, Manchon A, Schwingenschlögl U (2012) Ferromagnetism carried by highly delocalized hybrid states in Sc-doped ZnO thin films. Appl Phys Lett 100: 222406. doi:10.1063/1.4721807.
JournalApplied Physics Letters