Calculations of the Grüneisen Parameter for Some Models of the Solid

Abstract

Using a fixed interatomic potential function, we calculate values of the Grüneisen parameter by means of five computational models. The models compared are Monte Carlo, Lennard-Jones-Devonshire cell model, lattice dynamics, Dugdale-MacDonald, and Slater. The last three models use the harmonic form of the intermolecular potential, while the first two use the full form. Consequently, some conclusions can be drawn on the importance of anharmonic forces in rare-gas crystals.