Origins of magnetism in transition metal doped Cul

Cupric iodide is a p-type semiconductor and has a large band gap. Doping of Mn, Co, and Ni are found to make gamma-CuI ferromagnetic ground state, while Cr-doped and Fe-doped CuI systems are stabilized in antiferromagnetic configurations. The origins of the magnetic ordering are demonstrated successfully by the phenomenological band coupling model based on d-d level repulsions between the dopant ions. Furthermore, using a molecular-orbital bonding model, the electronic structures of the doped CuI are well understood. According to Heisenberg model, high-T-C may be expected for CuI:Mn and CuI:Ni if there are no native defects or other impurities.

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J. Li gratefully acknowledges financial support from the "One-Hundred Talent Plan" of the Chinese Academy of Sciences and National Science Fund for Distinguished Young Scholar (Grant No. 60925016). This work is supported by the National Basic Research Program of China (973 Program) under Grant No. 2009CB929300, the National High Technology Research and Development Program of China under Contract No. 2009AA034101, and the Ph.D. Funding Support Program of Education Ministry of China (Grant No. 20090460500).

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J. Li gratefully acknowledges financial support from the "One-Hundred Talent Plan" of the Chinese Academy of Sciences and National Science Fund for Distinguished Young Scholar (Grant No. 60925016). This work is supported by the National Basic Research Program of China (973 Program) under Grant No. 2009CB929300, the National High Technology Research and Development Program of China under Contract No. 2009AA034101, and the Ph.D. Funding Support Program of Education Ministry of China (Grant No. 20090460500).