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Investigations of the Structural, Electronic, Magnetic, and Half-Metallic Behavior of Co2MnZ (Z = Al, Ge, Si, Ga) Full-Heusler Compounds

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Abstract

The structural, electronic, and magnetic properties of the full-Heusler compounds Co2MnZ (Z = Al, Ge, Si, Ga) have been investigated using the first-principles calculations with the full-potential linear-augmented plane wave method within the density functional theory. The electronic structures and magnetic properties of the Co2MnZ (Z = Al, Ge, Si, Ga) compounds with both Hg2CuTi- and Cu2MnAl-type structures are studied. It is found that the calculated lattice constants are in good agreement with the theoretical values. Using the general gradient approximation, we observe that the Cu2MnAl-type structure is more stable than the Hg2CuTi type. The Co2MnZ (Z = Al, Ge, Si, Ga) compounds were half-metallic ferromagnets in the Cu2MnAl-type structure. The total magnetic moments of the Co2MnZ (Z = Al, Ge, Si, Ga) compounds in the Cu2MnAl-type structure were 4, 5, 5, and 4 μ B, respectively, which is in agreement with the Slater-Pauling rule, m = N V−24 Furthermore, the origin for the appearance of the half-metallic band gap in the Co2MnZ compound was also discussed which shows them to be promising materials for possible spintronics applications.

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Acknowledgments

The authors (Khenata and Bin-Omran) acknowledge the financial support provided by the Deanship of Scientific Research at the King Saud University for funding the work through the research group project N0 RPG-VPP-088.

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Authors and Affiliations

  1. Département de SM, Institue des sciences et des technologies, Centre universitaire de Tissemsilt, 38000, Tissemsilt, Algéria

    F. Dahmane

  2. Modelling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, 22000, Sidi Bel-Abbes, Algeria

    F. Dahmane, B. Doumi & A. Tadjer

  3. Faculty of Sciences, Department of Physics, Dr. Tahar Moulay University of Saïda, 20000, Saïda, Algeria

    B. Doumi

  4. Department of Engineering Physics, Ankara University, 06100, Tandogan, Ankara, Turkey

    Y. Mogulkoc

  5. Institute for Molecules and Materials, Radboud University, Heyendaalseweg 135, 6525AJ, Nijmegen, The Netherlands

    Y. Mogulkoc

  6. School of Computer Science & Engineering, Faculty of Engineering, SMVD University, Kakryal, Katra-182320, J&K, India

    Deo Prakash

  7. Material Science Research Laboratory, Department of Physics, S. V. College, Aligarh, 202001, U.P., India

    K. D. Verma

  8. Materials Science Laboratory, School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore, 452001, India

    Dinesh Varshney

  9. Microelectronic Laboratory (LMSE), University of Bachir Ibrahimi, Bordj-Bou-Arreridj, 34000, Algeria

    M. A. Ghebouli

  10. Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia

    S. Bin Omran

  11. Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, 29000, Mascara, Algeria

    R. Khenata

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  1. F. Dahmane
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  2. B. Doumi
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  3. Y. Mogulkoc
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  4. A. Tadjer
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  5. Deo Prakash
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  6. K. D. Verma
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  7. Dinesh Varshney
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  8. M. A. Ghebouli
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  9. S. Bin Omran
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  10. R. Khenata
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Correspondence to F. Dahmane.

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Dahmane, F., Doumi, B., Mogulkoc, Y. et al. Investigations of the Structural, Electronic, Magnetic, and Half-Metallic Behavior of Co2MnZ (Z = Al, Ge, Si, Ga) Full-Heusler Compounds. J Supercond Nov Magn 29, 809–817 (2016). https://doi.org/10.1007/s10948-015-3357-2

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  • DOI: https://doi.org/10.1007/s10948-015-3357-2

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