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1 Acta Physica Polonica A

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Mechanical Behavior of Aluminum Phosphide under Pressure

100%

Daoud S.

Acta Physica Polonica A

2018

tom 133

nr 1

23-27

With the help of structural parameters and elastic constants obtained previously in our work (S. Daoud, N. Boiud, N. Lebga, J. Optoelectron. Adv. Mater. 16, 207 (2014)), different empirical formulae were successfully used to investigate: equation of state, the isotropic shear modulus, the Young modulus, the Cauchy ratio, the Born ratio, the Poisson ratio, the Pugh ratio, the Kleinman parameter, and the converse piezoelectric coefficient of the aggregate AlP material with cubic zinc-blende structure under pressure up to experimental pressure of phase transition (9.5 GPa). In addition, the Debye temperature at equilibrium volume was predicted, the result obtained is in excellent agreement compared to the experimental ones, the deviation is less than 1.4%.

First-Principles Study of Structural, Elastic and Mechanical Properties of Zinc-Blende Boron Nitride (B3-BN)

51%

Daoud S. , Loucif K. , Bioud N. , Lebgaa N.

nr 1

109-115

First principles study of structural, elastic properties and anisotropy effect on the mechanical parameters of the zinc-blende boron nitride has been performed using the pseudopotential plane wave method based on density functional theory with the Teter and Pade exchange-correlation functional of the local density approximation. The equilibrium lattice constant, molecular and crystal densities, bond length, the independent elastic constants, bulk modulus and its pressure derivatives, compressibility, shear modulus, internal strain parameter, isotropy factor, compliance constants, the Debye temperature, Young's modulus, Poisson's ratio, the Lamé constants and sound velocity for directions within the important crystallographic planes of this compound are obtained and analyzed in comparison with the available theoretical data reported in the literature.