Abstract
The principal goal of this work is the prediction of elastic properties of Boron-Arsenide (BAs) and Boron- Antimonide (BSb) materials by means of some emperical formulas and with the help of two experimental physical quantities (the bond length and the bulk modulus which are taken from the literature for BAs material and the bond length only for BSb material). The homopolar and heteropolar energies, the bonding-antibonding energy gap, the covalency, the elastic constants, the Kleinman parameter, the Cauchy discrepancy in elastic constant, the Cauchy coefficient, the Born ratio, the cohesive energy and finally the Knoop microhardness are predicted and analyzed in comparison with the available theoretical data of the literature. Our obtained results are in general in agreement with other previous theoretical data.
Highlights
In view of their important properties for several technological applications, and especially in the linear and nonlinear optics, solar cells and light-emitting diodes; several binary compound materials with zinc-blende (ZB) and wurtzite (Wu)-type structure have attracted increasing research interest in the last few years [1]
The principal goal of this work is the prediction of elastic properties of Boron-Arsenide (BAs) and Boron- Antimonide (BSb) materials by means of some emperical formulas and with the help of two experimental physical quantities
Varshney et al [2] have investigated the effect of the hydrostatic pressure on the mechanical properties, longitudinal and transverse sound velocity and Debye temperature of boron based pnictides BY (Y = N, P and As) in zincblende and NaCl phases by formulating an effective interionic interaction potential
Summary
In view of their important properties for several technological applications, and especially in the linear and nonlinear optics, solar cells and light-emitting diodes; several binary compound materials with zinc-blende (ZB) and wurtzite (Wu)-type structure have attracted increasing research interest in the last few years [1]. Sarwan et al [3] have studied the pressure induced phase transition from the zincblende to rocksalt structural phase and some other thermophysical properties of BP and BAs semiconductor compounds. In object to study the electronic properties of BX (X= N, as and Sb) compounds, Bouhafs et al [4] have performed an ab initio investigation using a plane-wave expansion within the local density and the pseudopotential approximations. They found that the electronic properties of these compounds have been features differ from those of other usual III-V materials (the direct band gap pressure coefficient is nearly independent of the anion substitutions). Some physical quantities such as: the homopolar and heteropolar energies, the bonding-antibonding energy gap, the covalency, the elastic constants, the Kleinman parameter, the Cauchy discrepancy in elastic constant, the Cauchy coefficient, the Born ratio, the cohesive energy and the Knoop microhardness of BX (X= As, Sb) compounds are predicted, analyzed and compared with experimental and other theoretical data of the literature
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