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The Effect of Substitution of As for Ga on the Topological Phase and Structural, Electronic and Magnetic Properties of Mn 2 ZrGa Heusler Alloy

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An Erratum to this article was published on 13 December 2016

Abstract

The structural, electronic, and magnetic properties and existence of the topological insulator and metal phase of full-Heusler Mn2ZrGa1−xAs x (x = 0, 0.25, 0.5, 0.75, 1) alloys are studied by using the first-principles full-potential linearized augmented plane wave (FP-LAPW) method. The electronic structure results indicate that the half-metallic character for the whole series exhibits a pseudo-gap for compounds with x = 0, 0.25, and 1 and a real gap for x = 0.5 and 0.75. It was found that the total magnetic moment decreases linearly with increasing As content and follows the Slater–Pauling rule. The results also predict that the whole series from x = 0 to 1 shows ferrimagnetic ordering with antiparallel alignment between Mn and Zr moments. The results of the topological band structure show that for the equilibrium lattice parameter, the Mn2ZrGa1−xAs x alloys have normal band order. Moreover, the effect of lattice parameter change on the band order of these alloys is investigated. By increasing the lattice parameter, the inverted band order occurs for the Mn2ZrAs compound.

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Authors and Affiliations

  1. Department of Physics, Faculty of Science, University of Birjand, P.O. Box: 97175-615, Birjand, Iran

    Ahmad Amirabadizadeh & Seyyed Amir Abbas Emami

  2. Physics Department, Faculty of Science, University of Isfahan, Isfahan, Iran

    Zahra Nourbakhsh

  3. Department of Basic Sciences, Birjand University of Technology, Birjand, Iran

    Seyyed Mojtaba Alavi Sadr

  4. Department of Physics, Vali-e-Asr University of Rafsanjan, Rafsanjan, Iran

    Seyyed Madhy Baizaee

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  1. Ahmad Amirabadizadeh
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  2. Seyyed Amir Abbas Emami
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Correspondence to Ahmad Amirabadizadeh.

Additional information

The original version of this article was revised: The symbol As for Arsenic was incorrectly presented as “as”.

An erratum to this article is available at http://dx.doi.org/10.1007/s10948-016-3949-5.

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Amirabadizadeh, A., Abbas Emami, S.A., Nourbakhsh, Z. et al. The Effect of Substitution of As for Ga on the Topological Phase and Structural, Electronic and Magnetic Properties of Mn 2 ZrGa Heusler Alloy. J Supercond Nov Magn 30, 1035–1049 (2017). https://doi.org/10.1007/s10948-016-3884-5

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  • DOI: https://doi.org/10.1007/s10948-016-3884-5

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