Lattice dynamics with three-body forces. II. Krypton

Abstract

An accurate pair potential for interaction of krypton atoms is derived by methods similar to those previously used for argon. This potential, in conjunction with the Axilrod-Teller three-body interaction, is used to calculate the Debye parameter, thermal expansion, and bulk modulus for crystalline krypton at low temperatures [(0-12)°K]. Agreement with experiment is very good except for a discrepancy of about 4% in the bulk modulus. As in the case of argon, this is tentatively ascribed to the effect of the helium pressure fluid on the lattice spacing. © 1972 The American Physical Society.