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Study of half-metallic ferromagnetism and elastic properties of Cd1−x Cr x Z (Z=S, Se)

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Abstract

We have studied the structural, electronic and magnetic properties of Cd1−x Cr x S and Cd1−x Cr x Se diluted magnetic semiconductors in zinc blende (B3) phase at x = 0.25, 0.125 and 0.0625. The calculations have been performed using DFT (density functional theory) as implemented in SIESTA code using LDA (local density approximation) as exchange–correlation (XC) potential. Study of band structures and DOS (density of states) shows HMF (half-metallic ferromagnetic) nature of Cd1−x Cr x S and Cd1−x Cr x Se alloys. The calculated values of s–d exchange constant Nα and p–d exchange constant Nβ show the magnetic behavior of these compounds. Moreover, both DMSs retain their half-metallic nature at 0.25, 0.125 and 0.0625 concentrations with 100% spin polarization at Fermi level (E F). Total magnetic moment of these compounds is due to 3d states of Cr atom and also existence of small induced magnetic moment on other non-magnetic atoms as well. HM robustness is also calculated as a function of lattice constants.

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Acknowledgements

We are grateful to Department of Physics, Panjab University, Chandigarh, for its support. We also acknowledge SIESTA group for providing 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, Chandigarh, 160014, India

    Ranjan Kumar

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  1. Anita Rani
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Correspondence to Anita Rani.

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Rani, A., Kumar, R. Study of half-metallic ferromagnetism and elastic properties of Cd1−x Cr x Z (Z=S, Se). Appl. Phys. A 122, 1004 (2016). https://doi.org/10.1007/s00339-016-0533-6

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  • DOI: https://doi.org/10.1007/s00339-016-0533-6

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