Percus-Yevick phonon theory of entropies of liquid metals

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Abstract
The phonon theory of Percus and Yevick (1958) is used to calculate the entropies of liquid metals. The zeroth-order picture is of independent density fluctuations accommodated within an extended Debye sphere of radius k0=31/3 kD; most of the entropy arises harmonically from the extended region (kD, k0). The anharmonic contribution amounts to about 5% of the total and comes mainly from the interaction of phonon pairs with large (approaching 2k0) wavenumber differences. Observed structure factors are used as basic input data in the calculations: they must therefore be known with good accuracy especially in the longer wavelength region (kD, K0). The density-fluctuation model outlined above has been corroborated directly (by neutron diffraction experiments) only for Rb. Nevertheless, accurate calculated entropies are obtained for a variety of metals.

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