期刊
JOURNAL OF APPLIED PHYSICS
卷 107, 期 3, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3289721
关键词
carbon; Curie temperature; density functional theory; doping profiles; electronic structure; exchange interactions (electron); ferromagnetic materials; high-temperature effects; II-VI semiconductors; long-range order; magnetic moments; manganese; semiconductor doping; semimagnetic semiconductors; wide band gap semiconductors; zinc compounds
资金
- National Basic Research Program of China [2007CB924903, 2009CB929202]
- NSF [10974120]
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,U-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.
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