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A Computational Study of Ferromagnetic Exchange Interactions and Charge Transfer in Codoped Gallium Nitride

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Abstract

This study reports a systematic density functional theory-based analysis on electronic properties of individual doping and codoping of Ti and Ce into GaN. In the case of codoped GaN, the placement of Ti and Ce at nearest neighbour sites appeared as the most stable configuration. The unoccupied states in the case of individual doped material are observed to become occupied after codoping, and a metal-to-metal charge transfer of the Ti-N-Ce character is observed in the material. The interaction between dopants suggests 4f-5d-CB hybridization that opens the way to the exploitation of novel luminescence phenomena. A model showing charge transfer and interaction between the dopants is proposed.

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Authors and Affiliations

  1. Department of Physics, University of Gujrat, Gujrat, Pakistan

    Abdul Majid, Tahir Iqbal Awan & Mehreen Javed

  2. Spintronics Laboratory, Department of Physics, International Islamic University, Islamabad, Pakistan

    Naeem Ahmad

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  1. Abdul Majid
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  2. Naeem Ahmad
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  3. Tahir Iqbal Awan
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  4. Mehreen Javed
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Correspondence to Abdul Majid.

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Majid, A., Ahmad, N., Awan, T.I. et al. A Computational Study of Ferromagnetic Exchange Interactions and Charge Transfer in Codoped Gallium Nitride. J Supercond Nov Magn 31, 475–481 (2018). https://doi.org/10.1007/s10948-017-4230-2

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  • DOI: https://doi.org/10.1007/s10948-017-4230-2

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