Abstract
A comprehensive theoretical investigation on the electronic and magnetic properties of V-doped and H-passivated ZnO nanowires (NWs) was performed using spin-polarized density functional theory. The magnetic couplings of six configurations of V-doped ZnO NWs are studied in detail and stable ferromagnetism (FM) ordering is found in certain configurations. The FM mechanism originated from the strong hybridization of V 3d and O 2p around the Fermi level. Our results show that the uniaxial strain is an effective method to tune the magnetic properties of this material system. Room temperature ferromagnetism in these V-doped ZnO NWs indicates that these materials have a promising application in nanoscale spintronics.
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Acknowledgements
This work was supported by the National Natural Science Foundation of China (No. 61102024), the Fundamental Research Funds for the Central Universities (No. 2012RC0401), the National Basic Research Program of China (973 Program) under Grant No. 2014CB643900 and the Open Project Program of State Key Laboratory of Functional Materials for Informatics.
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Lu, P., Zhang, X., Cao, H. et al. Vanadium doping on magnetic properties of H-passivated ZnO nanowires. J Mater Sci 49, 3177–3182 (2014). https://doi.org/10.1007/s10853-014-8020-y
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DOI: https://doi.org/10.1007/s10853-014-8020-y