Calculation Morse potential parameters under temperature and pressure effects in expanded X-ray absorption fine structure spectra

Abstract

A new method for estimating the effective parameters of Morse potential under thermal disorder and pressure effects for materials has crystals structure developed by using the energy of sublimation, the compressibility, and the lattice constant. Use the Morse potential parameters received to calculate the mean square relative displacement, spring constants, anharmonic interatomic effective potential, and local force constant for silicic and germanium semiconductor crystals, are the materials have diamond structure crystals. The received results suitable for the experimental values and other theories.