Density functional theory of freezing with reference liquid

F. Iglói, J. Hafner

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Abstract

The density functional theory of freezing is reformulated by introducing a reference liquid to describe the thermodynamic properties of the crystalline phase. The density of this liquid, which is a free parameter in the theory, is chosen so that the grand potential of the solid is stationary with respect to this parameter. The introduction of a reference liquid is shown to be equivalent to partial summation of higher-order terms of the perturbation series. The theory is applied to the hard sphere system. The calculated melting parameters as well as the properties of the high-density solid are in very good agreement with Monte Carlo results.

Original languageEnglish
Pages (from-to)5799-5815
Number of pages17
JournalJournal of Physics C: Solid State Physics
Volume19
Issue number29
DOIs
Publication statusPublished - Oct 20 1986

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ASJC Scopus subject areas

  • Condensed Matter Physics
  • Engineering(all)
  • Physics and Astronomy(all)

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