Density functional theory of freezing of the hard sphere liquid into FCC against HCP structures

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Abstract

The density functional theory is applied to study the freezing of the hard sphere liquid into the close packed structures. To describe the short-range correlations in the solid phases a reference liquid is introduced, whose density is fixed by a stationary condition. The thermodynamic properties of the two solid structures are calculated for increasing numbers of order parameters until convergence is achieved. According to the calculation the FCC structure is slightly more stable than the HCP one, but the difference in the grand potentials is comparable with the error of the calculation.

Original languageEnglish
Pages (from-to)6907-6914
Number of pages8
JournalJournal of Physics C: Solid State Physics
Volume19
Issue number35
DOIs
Publication statusPublished - Dec 20 1986

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Freezing
freezing
Density functional theory
density functional theory
Liquids
liquids
solid phases
Thermodynamic properties
thermodynamic properties

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Condensed Matter Physics

Cite this

Density functional theory of freezing of the hard sphere liquid into FCC against HCP structures. / Iglói, F.

In: Journal of Physics C: Solid State Physics, Vol. 19, No. 35, 20.12.1986, p. 6907-6914.

Research output: Contribution to journalArticle

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