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Half-Metallic Behavior of Transition Metal-Doped Chalcopyrite Semiconductor: LDA and SIC-LDA Calculation

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Abstract

Using the first principles with local density approximation (LDA) and self-interaction-corrected local density approximation (SIC-LDA), the electronic structure of transition metal-doped copper indium sulfide chalcopyrite (CuInS2) has been calculated and the effect of low-impurity concentration on magnetic structure has been carried out for both LDA and SIC-LDA; also, the magnetic transition temperature for Cr-doped CuInS2 was reported in the concentration range of 1–6 % with LDA and SIC-LDA. It is shown that the chalcopyrite semiconductor-doped transition metals (with low concentration) exhibit a high magnetic critical temperature and half-metallic behavior that could have a significant participation in spintronic applications.

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Authors and Affiliations

  1. LMPHE, Faculté des Sciences, Université Mohammed V, Rabat, Morocco

    Ayoub Laghrissi, El Mehdi Salmani, Mustapha Dehmani & Hamid Ez-Zahraouy

  2. Department of Materials Science and Engineering, New Jersey Institute of Technology, Newark, NJ, 07102, USA

    El Mostafa Benchafia

  3. Institute for Nanomaterials and Nanotechnologies, MAScIR, Rabat, Morocco

    Abdelilah Benyoussef

  4. Académie Hassan II des Sciences et Techniques, Rabat, Morocco

    Abdelilah Benyoussef

Authors
  1. Ayoub Laghrissi
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  2. El Mehdi Salmani
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  3. El Mostafa Benchafia
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  4. Mustapha Dehmani
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  5. Hamid Ez-Zahraouy
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  6. Abdelilah Benyoussef
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Correspondence to El Mehdi Salmani.

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Laghrissi, A., Salmani, E.M., Benchafia, E.M. et al. Half-Metallic Behavior of Transition Metal-Doped Chalcopyrite Semiconductor: LDA and SIC-LDA Calculation. J Supercond Nov Magn 29, 2629–2634 (2016). https://doi.org/10.1007/s10948-016-3571-6

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  • DOI: https://doi.org/10.1007/s10948-016-3571-6

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