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

被引：15

作者：

Kanoun, Mohammed Benali ^{[1
]}

Goumri-Said, Souraya ^{[1
]}

Manchon, Aurelien ^{[1
]}

Schwingenschloegl, Udo ^{[1
]}

机构：

[1] KAUST, PSE Div, Thuwal 239556900, Saudi Arabia

来源：

APPLIED PHYSICS LETTERS | 2012年 / 100卷 / 22期

关键词：

ROOM-TEMPERATURE FERROMAGNETISM; MAGNETIC SEMICONDUCTORS; 1ST-PRINCIPLES; OXIDE;

D O I：

10.1063/1.4721807

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

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. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4721807]

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页数：4

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