Electronic structure and magnetic properties of(Cu,N)-codoped3C-SiC studied by first-principles calculations |
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Institution: | School of Physics and Electric Information Engineering, Ningxia University, Yinchuan 750021, China |
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Abstract: | The electronic structures and magnetic properties of the Cu and N codoped 3C-SiC system have been investigated by the first-principles calculation. The results show that the Cu doped SiC system prefers the anti-ferromagnetic (AFM) state. Compared to the Cu doped system, the ionicities of C-Cu and C-Si in Cu and N codoped SiC are respectively enhanced and weakened. Especially, the Cu and N codoped SiC systems favor the ferromagnetic (FM) coupling. The FM interactions can be explained by virtual hopping. However, higher N concentration will weaken the ferromagnetism. In order to keep the FM interaction, the N concentration should be restricted within 9.3% according to our analysis. |
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Keywords: | ferromagnetism 3C-SiC codoped system |
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