Abstract
The spin-polarization and magnetic coupling of N-doped CdS nanowires (NWs) with a diameter size of 12.33 Ǻ have been investigated through first-principles calculations. The doped N prefers surface S sites and leads to a half-metallic property. The magnetic interaction between the nearest and the next-nearest N dopants results in a strong ferromagnetic (FM) coupling, while, when the distance between N dopants is larger than 8.0 Ǻ, the ground state of the system tends to be paramagnetic. Also, a nitrogen concentration threshold to produce the FM order is estimated to be 8.3 %. The results of incorporation of N dopants to CdS NWs pave a promising way to realize potential applications in spintronics.
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Acknowledgments
This study was supported by National Natural Science Foundation of China (Grant Nos. 61076088 and 11274143), and Technological Development Program in Shandong Province Education Department (Grant No. J10LA16).
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Zheng, Fb., Zhang, Cw., Yan, Ss. et al. Manipulation of half-metallicity and ferromagnetism in N-doped CdS nanowire. J Nanopart Res 15, 1647 (2013). https://doi.org/10.1007/s11051-013-1647-9
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DOI: https://doi.org/10.1007/s11051-013-1647-9