The freezing of simple liquid metals: Density functional approach to the structural stability of the crystalline phase

F. Igloi, G. Kahl, J. Hafner

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

The density functional theory of freezing is applied to the calculation of the liquid-solid phase diagram of Al and Mg. The calculation predicts the freezing into the correct crystal structure, FCC for Al and HCP for Mg. At normal pressures, it is predicted that freezing into hypothetical HCP Al will occur at a temperature 360 K below the freezing point of FCC Al, and that the solidification temperature of FCC Mg is depressed by 190 K compared with HCP Mg. Both values are in good agreement with thermochemical estimates.

Original languageEnglish
Pages (from-to)1803-1813
Number of pages11
JournalJournal of Physics C: Solid State Physics
Volume20
Issue number12
DOIs
Publication statusPublished - Apr 30 1987

ASJC Scopus subject areas

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

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