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Hydrostatic Pressure Effect on Ga0.75Cr0.25As DMS: DFT Study

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Abstract

This paper studies the first-principles calculations of the effect of hydrostatic pressure on the structural, electronic and magnetic properties of Ga0.75Cr0.25As dilute magnetic semiconductor in zb (B3) phase. High-pressure behaviour of Ga0.75Cr0.25As has been investigated between 0 and 100 GPa. The calculations have been performed using DFT as implemented in code SIESTA using LDA + U as an exchange-correlation (XC) potential. The study of band structures shows half-metallic ferromagnetic nature with 100% spin polarization. Under application of external pressure, the valence band and conduction band are shifted from their positions which lead to modification of electronic structure.

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Acknowledgments

We acknowledge the Department of Physics, Panjab University, Chandigarh, for providing the HPCC facility and SIESTA group for computational code.

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Authors and Affiliations

  1. Guru Nanak College For Girls, Sri Muktsar Sahib, Punjab, 152026, India

    Anita Rani

  2. Department of Physics, Panjab University, Chandigarh, 160014, India

    Anita Rani & Ranjan Kumar

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  1. Anita Rani
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  2. Ranjan Kumar
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Correspondence to Anita Rani.

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Rani, A., Kumar, R. Hydrostatic Pressure Effect on Ga0.75Cr0.25As DMS: DFT Study. J Supercond Nov Magn 30, 3079–3084 (2017). https://doi.org/10.1007/s10948-017-4110-9

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  • DOI: https://doi.org/10.1007/s10948-017-4110-9

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