TY - JOUR
T1 - Ferromagnetism carried by highly delocalized hybrid states in Sc-doped ZnO thin films
AU - Kanoun, Mohammed
AU - Goumri-Said, Souraya
AU - Manchon, Aurelien
AU - Schwingenschlögl, Udo
N1 - KAUST Repository Item: Exported on 2020-10-01
PY - 2012/5/29
Y1 - 2012/5/29
N2 - We 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.
AB - We 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.
UR - http://hdl.handle.net/10754/314530
UR - http://scitation.aip.org/content/aip/journal/apl/100/22/10.1063/1.4721807
UR - http://www.scopus.com/inward/record.url?scp=84862127511&partnerID=8YFLogxK
U2 - 10.1063/1.4721807
DO - 10.1063/1.4721807
M3 - Article
SN - 0003-6951
VL - 100
SP - 222406
JO - Applied Physics Letters
JF - Applied Physics Letters
IS - 22
ER -