In previous papers, the authors have ab initio constructed a nonempirical pair interatomic potential of rare-gas crystals. It was constructed for the case of high pressures (strong compression). The equations of state are solved and the elastic constants responsible for the propagation of sound in strongly compressed crystals of rare gases are calculated in the next-nearest-neighbor approximation using the interatomic potential proposed by the authors. The results of calculations are in satisfactory agreement with the experimental data. The shear modulus B 12 is described somewhat less well. The last experiment data show that Cauchy relation is satisfied in krypton consequently the interatomic interaction in the rare-gas crystals has a central character.
Equations for the derivatives of adiabatic and isothermal elastic constants with respect to the stress tensor for the initially stressed crystal of the arbitrary symmetry are deduced. The relation between the third order elastic constants determined under different thermodynamic boundary conditions are estimated in the general case. The proposed methods of obtaining the derivatives with respect to the stress tensor and the relations between different elastic constants may be applied to the elastic constants of higher order.
Thermal expansion and Griineisen microscopic and macroscopic parameters yvk and y( T) in the alkali metals are calculated in the pseudopotential model described earlier. Yuk is proved to be sensitive t,o the form of the dielectric function e(p) and of the pseudopotential V ( g ) so that measurements of Yvk may give an information on the ~( p ) and v(p). y ( T ) has a pronounced variation a t small T . Comparison
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