2012

Ferromagnetism carried by highly delocalized hybrid states in Sc-doped ZnO thin films

Ferromagnetism carried by highly delocalized hybrid states in Sc-doped ZnO thin films
M​.B. Kanoun, S. Goumri-Said, A. Manchon, U. Schwingenschlogl
Appl. Phys. Lett. 100, 22406 (2012)​​​
M​.B. Kanoun, S. Goumri-Said, A. Manchon, U. Schwingenschlogl
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2012
We present first-principles results for Sc-doped ZnO thin 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 metal doping. However, there is a second configuration which is energetically favorable. It is governed by polarized hybrid states of the Zn s, O p, and Sc d orbitals. Such highly delocalized states can be an important ingredient for understanding the magnetism of doped ZnO thin films.​