Calculation of Gr�neisen parameter and temperature dependence of elastic constants in alkali metals Academic Article uri icon

abstract

  • The pseudopotential method is used to determine the Grüneisen constant and the temperature dependence of the elastic constants for T > ? in alkali metals. An analysis is made of the influence of exchange-correlational effects in the electronic gas on the quantities mentioned above. The calculated values are in good agreement with experimental data in Na, K, Rb, and Cs. The results of the paper indicate that the considered anharmonic characteristics of alkali metals are determined primarily by the interaction in the first two coordination spheres.

publication date

  • April 1, 1979