Anisotropy and Pressure Effect on the Elastic and Mechanical Properties of (B3) BN

  • S. Daoud Faculte des Sciences et de la Technologie, Universite de Bordj Bou Arreridj
  • N. Bioud Laboratoire d’Optoelectronique & Composants, Universite Ferhat Abbes-Setif
Keywords: (B3) BN compound, elastic and mechanical properties, pressure and anisotropy effect, stability criteria

Abstract

We present the results of ab initio calculations of the anisotropy and hydrostatic pressure effects on the elastic and mechanical properties of (B3) boron nitride, using the density functional perturbation theory (DFPT). The independent elastic and compliance constants, bulk and shear moduli, Zener anisotropy and Kleinman parameters, Cauchy and Born coefficients, Young modulus, and Poisson’s ratio for directions within the important crystallographic planes of this compound under pressure are obtained. The crystal density, the longitudinal, transverse, and average sound velocities, and the Debye temperature under pressure are also studied. In the investigation of the stability criteria, the results showed a phase transition pressure from zinc blende to the rock-salt phase at about 4.54 Mbar, which is in good agreement with some available theoretical data reported in the literature and shows discrepancies with another ones.

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Published
2018-10-22
How to Cite
Daoud, S., & Bioud, N. (2018). Anisotropy and Pressure Effect on the Elastic and Mechanical Properties of (B3) BN. Ukrainian Journal of Physics, 59(4), 418. https://doi.org/10.15407/ujpe59.04.0418
Section
Solid matter