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Electronic structure and related properties for quasi-binary (GaP)1−x (ZnSe) x crystals

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Abstract

The results of pseudopotential calculations of the band structure and related electronic and optical properties of quasi-binary (GaP)1−x (ZnSe) x crystals in the zinc blende structure are presented. Trends in bonding and ionicity are discussed in terms of electronic charge densities. Moreover, the composition dependence of the refractive index and dielectric constants are reported. The computed values are in reasonable agreement with experimental data. The results suggest that for a proper choice of the composition x, (GaP)1−x (ZnSe) x could provide more diverse opportunities to achieve the desired electronic and optical properties of the crystals which would improve the performances of devices fabricated on them.

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Authors and Affiliations

  1. University of Bordj-Bou-Arreridj, El-Anasser, Bordj-Bou-Arreridj, Algeria

    W. Kara Mohamed

  2. Physics Department, Faculty of Science and Engineering, University of M’sila, M’sila, Algeria

    F. Mezrag & M. Boucenna

  3. Department of Physics, College of Science and Arts, Najran University, Najran, Saudi Arabia

    N. Bouarissa

  4. Centre for Advanced Materials and Nano-Engineering (CAMNE), Najran University, Najran, Saudi Arabia

    N. Bouarissa

Authors
  1. W. Kara Mohamed
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  2. F. Mezrag
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  3. M. Boucenna
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  4. N. Bouarissa
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Correspondence to N. Bouarissa.

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Original Russian Text © 2013 W. Kara Mohamed, F. Mezrag, M. Boucenna, N. Bouarissa

The text was submitted by the authors in English. Zhurnal Strukturnoi Khimii, Vol. 54, No. 6, pp. 972–979, November–December, 2013.

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Mohamed, W.K., Mezrag, F., Boucenna, M. et al. Electronic structure and related properties for quasi-binary (GaP)1−x (ZnSe) x crystals. J Struct Chem 54, 1004–1011 (2013). https://doi.org/10.1134/S0022476613060024

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  • DOI: https://doi.org/10.1134/S0022476613060024

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