Energetics and magnetism of Co-doped GaN(0001) surfaces: A first-principles study

  title={Energetics and magnetism of Co-doped GaN(0001) surfaces: A first-principles study},
  author={Zhenzhen Qin and Zhihua Xiong and Guangzhao Qin and Lan Li Chen},
  journal={Journal of Applied Physics},
A comprehensive first-principles study of the energetics, electronic, and magnetic properties of Co-doped GaN(0001) thin films are presented and the effect of surface structure on the magnetic coupling between Co atoms is demonstrated. It is found that Co atoms prefer to substitute the surface Ga sites in different growth conditions. In particular, a CoN/GaN interface structure with Co atoms replacing the first Ga layer is preferred under N-rich and moderately Ga-rich conditions, while CoGax… 

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