Theory of Freezing of Alkali Halides and Binary Alloys

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Abstract
Using the basic equations of classical statistical mechanics relating the singlet densities p1 and p2 of a binary system to the three partial direct correlation functions cij , a theory of freezing is developed. Though the theory is set up for arbitrary concentration, we focus on the freezing of the alkali halides. In particular, we show that periodic solutions of the equations for p1 and p2 can coexist with homogeneous solutions. The difference in free energy between periodic and homogeneous phases is built up in terms of (i) the volume difference and (ii) the Fourier components of p1 , p2 and cij . To lowest order, it is stressed that the freezing transition is determined by the charge-charge structure factor at its principal peak and by the compressibility.

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