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Electronic, optical and magnetic properties of low concentration Ni-doped CdSe by first principle method

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Abstract

The electronic, magnetic and optical properties of Ni-doped CdSe diluted magnetic semiconductors have been explored by density functional theory-based FPLAPW method as incorporated in the Wien2k code. The band structure and density of states analysis for up spin channel and down spin channel illustrate half-metallic ferromagnetic behaviour. The calculated values of the band gap in an insulating channel (down spin channel) increases from 0.4 to 0.8 eV with increasing the doping concentration of Ni from 6.25 to 25%. The magnetic moment of Ni decreases and magnetic moment on nonmagnetic side increases, which shows the strong pd-hybridization. Furthermore, the optical properties are characterized in terms of dielectric constants, refractive index, extinction coefficient, absorption coefficient and optical loss factor. The static values of the dielectric constant and refractive index are consistent with each other.

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Acknowledgements

M Yaseen is grateful to the Higher Education Commission (HEC), Pakistan Grant No. 6410/Punjab/NRPU/R&D/HEC/2016) for funding.

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Authors and Affiliations

  1. Department of Physics, University of Agriculture, Faisalabad, 38040, Pakistan

    Muhammad Yaseen, Muhammad Dilawar, Hina Ambreen, Shamsa Bibi, Shafiq Ur Rehman, Umair Shahid, Mehwish Khalid Butt & Abdul Ghaffar

  2. School of Science, MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, State Key Laboratory for Mechanical Behaviour of Materials, Xi’an Jiaotong University, Xi’an, 710049, People’s Republic of China

    Adil Murtaza

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  1. Muhammad Yaseen
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  2. Muhammad Dilawar
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Correspondence to Muhammad Yaseen.

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Yaseen, M., Dilawar, M., Ambreen, H. et al. Electronic, optical and magnetic properties of low concentration Ni-doped CdSe by first principle method. Bull Mater Sci 43, 122 (2020). https://doi.org/10.1007/s12034-020-2078-8

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