Theoretical Investigations of Some Physical Properties of HgX (X = S, Se and Te) Semiconducting Compounds

Abstract

In the present work, we have investigated total energy, bulk modulus, elastic constants, pressure derivatives of elastic constants and pressure derivative of bulk modulus of HgX (X=S, Se and Te) semiconducting compounds using higher-order perturbation scheme with the application of our own proposed model potential. To consider exchange and correlation effect to the dielectric function, the local-field correction function proposed by Farid et al is employed in the present study. In most of the cases the experimental and other theoretical results of the aforesaid physical properties of the HgX are not available in the literature and hence this study provides a better set of theoretical results of the physical properties of the materials for future comparison either with theoretical or experimental results.