Manipulation of half-metallicity and ferromagnetism in N-doped CdS nanowire
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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.
KeywordsFirst-principles calculations CdS nanowire Ferromagnetism
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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