Abstract
In order to enrich the potential of gallium nitride (GaN) monolayer in low-dimensional spintronic devices, we implement a theoretical study of the magnetic properties of group VIII B transition-metal (TM)-substituted GaN monolayer (ML). The results show that the group VIII B TM atom-substituted systems exhibit a distinct nonzero magnetic moment. The total magnetic moment of the Fe- and Ru-substituted systems is 5 μB, while that of Co- and Rh-substituted systems is 4 μB. Asymmetry of the degenerate and nondegenerate states, based on whether, and how, they are occupied, or not occupied by electrons in spin-up and spin-down bands decides the magnetic moment. The origin of magnetic moment is polarization of TM 3d or 4d electrons and N 2p electrons. Furthermore, co-doping of different TM atoms can increase the magnetic moment of GaN ML.
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Acknowledgements
This research is supported by the National Natural Science Foundation of China (Grant No. 61434007 and 61504100), the Foundation for Fundamental Research of China (Grant No. JSZL2016110B003), and the Major Fundamental Research Program of Shaanxi (Grant No.2017ZDJC-26).
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Li, J., Liu, H. Magnetism investigation of GaN monolayer doped with group VIII B transition metals. J Mater Sci 53, 15986–15994 (2018). https://doi.org/10.1007/s10853-018-2766-6
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DOI: https://doi.org/10.1007/s10853-018-2766-6