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      https://www.ias.ac.in/article/fulltext/pram/079/01/0095-0106

    • Keywords

       

      Hydrostatic pressure effect; structural, elastic and electronic properties; (B3) boron phosphide.

    • Abstract

       

      In this paper we present the results obtained from first-principles calculations of the effect of hydrostatic pressure on the strucural, elastic and electronic properties of (B3) boron phosphide, using the pseudopotential plane-wave method (PP-PW) based on density functional theory within the Teter and Pade exchange-correlation functional form of the local density approximation (LDA). The lattice parameter, molecular and crystal densities, near-neighbour distances, independent elastic constant, bulk modulus, shear modulus, anisotropy factor and energy bandgaps of (B3) BP under high pressure are presented. The results showed a phase transition pressure from the zinc blende to rock-salt phase at around 1.56 Mbar, which is in good agreement with the theoretical data reported in the literature.

    • Author Affiliations

       

      Salah Daoud1 Kamel Loucif2 Nadhira Bloud3 Noudjoud Lebgaa3 Laarbi Belagraa4

      1. Institut des Sciences et Technologies, Centre Universitaire de Bordj Bou Arreridj, Bordj-Bou-Arreridj, Algérie
      2. Laboratoire Des Matériaux Non Métalliques, Université Ferhat Abbes-Sétif, Sétif, Algérie
      3. Laboratoire d’Optoélectronique & Composants, Université Ferhat Abbes-Sétif, Sétif, Algérie
      4. Laboratoire Matériaux et Systèmes Electroniques, Centre Universitaire de Bordj Bou Arreridj, Bordj-Bou-Arreridj, Algérie
    • Dates

       
  • Pramana – Journal of Physics | News

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      Posted on July 25, 2019

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