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Magnetism of 3d Transition Metals Doped 2H, 4H and 6H-GaN Polytypes

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Abstract

We present spin-polarized density-functional theory study of substitutional 3d transition metal (TM) atoms (Sc → Ni) in various host polytypes of GaN. For the structural parameters, we found that a(c) decreases (increases) from Sc to Ni. Additionally, calculations reveal decreasing (increasing) of the lattice constants a (c/a ratio) with increasing hexagonality h. In spite of the small cell used, TM atoms doped GaN polytypes with Ti, Cr, Mn, Fe, Co, and Ni show ferromagnetic character; whereas Sc and V dopant systems show, respectively, semiconducting and metallic behavior. The origin behind magnetism in 3d transition metal atoms doped 2H, 4H, and 6H-GaN polytypes is clarified through the ordering of spin-up (t+, e+) and spin-down (t-, e-) states.

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Authors and Affiliations

  1. Département de Génie Physique (LPMF) Faculté des Sciences, Université des Sciences et de la Technologie d’Oran Mohamed Boudiaf, Oran, Algeria

    M. Torrichi & M. Ferhat

  2. d’Oran, USTO, Oran, Algeria

    M. Torrichi & M. Ferhat

  3. LGCgE, Polytech’Lille, Université Lille 1 Sciences et Technologie, Cité Scientifique, Avenue Paul Langevin, 59655, Villeneuve D’Ascq CEDEX, France

    A. Zaoui

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  1. M. Torrichi
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  2. A. Zaoui
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  3. M. Ferhat
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Correspondence to A. Zaoui.

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Torrichi, M., Zaoui, A. & Ferhat, M. Magnetism of 3d Transition Metals Doped 2H, 4H and 6H-GaN Polytypes. J Supercond Nov Magn 30, 1195–1199 (2017). https://doi.org/10.1007/s10948-016-3917-0

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  • DOI: https://doi.org/10.1007/s10948-016-3917-0

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