Total energy, equation of states and bulk modulus of Si and Ge

Abstract

A model potential describing electron-ion interaction is presented for intrinsic semiconductors Si and Ge. The present model potential is single parametric, continuous in r-space and weaker within core and Coulombic outside the core. The parameter of the potential is determined using the equilibrium condition at zero pressure. The total energy, equation of states and bulk modulus of Si and Ge are calculated using higher order perturbation theory based on pseudopotential formalism which includes covalent correction term. Numerical results of total energy and bulk modulus obtained for the Si and Ge are in good agreements with experimental data and found superior than other such theoretical findings. The predicted equation of states of Si and Ge are also excellent.