Elastic, Optoelectronic and Thermal Properties of Boron Phosphide

Abstract

Elastic, mechanical, optoelectronic and some thermal properties of boron phosphide (BP) in its structure zincblende phase has been performed using the pseudopotential combined with the plane wave method. The plane-wave pseudopotential approach to the density-functional theory within the local density approximation (LDA) implemented in Abinit code is used. The elastic stiffness and compliance constants, bulk modulus, shear modulus, zener anisotropy factor, young's modulus, internal strain parameter, poisson's ratio, sound velocity for directions within the important crystallographic planes, Debye temperature, melting point, refractive index, plasmon energy, force constants, lattice energy, band gap energy, homopolar energy, heteropolar energy, ionicity and dielectric constant are obtained and analyzed in comparison with the available data. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/35556