High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials

Abstract

Abstract In this work, we have determined the mean square relative displacement, elastic constant, anharmonic effective potential, correlated function, local force constant, and other thermodynamic parameters of diamond-type structured crystals under high-pressure up to 14 GPa. The parameters are calculated through theoretical interatomic Morse potential parameters, by using the sublimation energy, the compressibility, and the lattice constant in the expanded X-ray absorption fine structure spectrum. Numerical results agree well with the experimental values and other theories.

Keywords

• Morse potential parameter
• State equation
• Correlation function
• Elastic constant
• Mean square relative displacement