1. Long-ranged and high temperature ferromagnetism in (Mn,C)-codoped ZnO studied by first-principles calculations.
- Author
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Lin, Xue-ling, Yan, Shi-shen, Zhao, Ming-wen, Hu, Shu-jun, Yao, Xin-xin, Han, Chong, Chen, Yan-xue, Liu, Guo-lei, Dai, You-yong, and Mei, Liang-mo
- Subjects
PHYSICS research ,FERROMAGNETISM ,SEMICONDUCTOR industry ,SEMICONDUCTOR doping ,MAGNETIC semiconductors - Abstract
We theoretically investigated the electronic structures and magnetic properties of (Mn,C)-codoped ZnO system based on the first-principles calculations within a GGA+U
p,d approach. We found that codoping C is a promising approach to enhance the ferromagnetic coupling between the nearest-neighboring Mn ions due to the strong hybridization between the C:2p and the Mn:3d states. Moreover, the spin-polarized states induced by C are so extended that they can mediate long-ranged ferromagnetic exchange interactions beyond the nearest-neighboring case. Therefore, (Mn,C)-codoped ZnO is expected to be a ferromagnetic semiconductor with long-ranged ferromagnetism and high Curie temperature. [ABSTRACT FROM AUTHOR]- Published
- 2010
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