• Noudjoud Lebgaa

      Articles written in Pramana – Journal of Physics

    • Effect of hydrostatic pressure on the structural, elastic and electronic properties of (B3) boron phosphide

      Salah Daoud Kamel Loucif Nadhira Bloud Noudjoud Lebgaa Laarbi Belagraa

      More Details Abstract Fulltext PDF

      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.

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