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Ab Initio Study of Magnetism in III-V- and II-VI-Based Diluted Magnetic Semiconductors

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Abstract

Electronic structure and magnetic properties of Ga1−x Mn x As, Ga1−x Mn x N, Zn1−x M x O, and Zn1−x M x Te (M=V, Cr, Mn, Fe, and Co) diluted magnetic semiconductors (DMS) are calculated by the tight-binding LMTO method in the 64-atom supercell. Calculations are made at several x with varied spatial distribution of dopant atoms and codoping of DMSs. The results show that stability of the ferro- and antiferromagnetic (FM and AFM) states in DMSs strongly correlates with the occupation and energy position of 3d-dopant bands. Adequacy of the double exchange and superexchange mechanisms for explanation of the FM vs. AFM competition is discussed.

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Authors and Affiliations

  1. General Physics Institute, Vavilov str. 38, 119991, Moscow, Russia

    E. Kulatov

  2. Universite J. Fourier, 17 av. des Martyrs, 38054, Grenoble Cedex 9, France

    E. Kulatov, H. Mariette, J. Cibert & D. Ferrand

  3. Lebedev Physical Institute, Leninski pr. 53, 119991, Moscow, Russia

    Y. Uspenskii

  4. Osaka City University, 3-3-138 Sugimoto, Osaka, 558-8585, Japan

    H. Nakayama & H. Ohta

Authors
  1. E. Kulatov
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  2. Y. Uspenskii
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  3. H. Mariette
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  4. J. Cibert
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  5. D. Ferrand
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  6. H. Nakayama
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  7. H. Ohta
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Kulatov, E., Uspenskii, Y., Mariette, H. et al. Ab Initio Study of Magnetism in III-V- and II-VI-Based Diluted Magnetic Semiconductors. Journal of Superconductivity 16, 123–126 (2003). https://doi.org/10.1023/A:1023209423446

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  • DOI: https://doi.org/10.1023/A:1023209423446

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