Density Functional Mean Field Theory Of Crystal-Melt Interfaces

Research output: Contribution to journalArticlepeer-review

4 Scopus citations


We present a density-functional approach for crystal-melt interface tension of simple metals. The theory is applied to simple bcc metal Na, and simple fcc metals A1 and Pb. Comparing with available experimental surface tensions of these elements, the calculated results are in fairly good agreement with the measurements by conjecturing that the 10–90 width of the interfacial transition zone is about ten atomic layers, which is motivated from computer simulation.

Original languageEnglish (US)
Pages (from-to)39-43
Number of pages5
JournalPhysics and Chemistry of Liquids
Issue number1
StatePublished - Jul 1989
Externally publishedYes


  • Debye Waller factor
  • Density functional
  • crystal-melt interface
  • surface tension

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Materials Chemistry


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