A determination of the structure of liquid Ag2Se using neutron diffraction and isotopic substitution

A. C. Barnes, S. B. Lague, P. S. Salmon, H. E. Fischer

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Abstract

The partial structure factors and pair distribution functions for liquid Ag2Se were meastured using the method of neutron scattering and isotopic substitution. The results show many features which are consistent with an ionic melt in which small Ag+ ions move rapidly through a highly orderd Se2- liquid sub-structure in a similar way to the motion of Ag+ in the fast-ion solid which exists prior to melting. The results are compared with recent molecular dynamics and ab initio molecular dynamics calculations, and the relative merits of the two simulation approaches are discussed in relation to the data.

Original languageEnglish
Pages (from-to)6159-6173
Number of pages15
JournalJournal of Physics Condensed Matter
Volume9
Issue number29
DOIs
Publication statusPublished - 21 Jul 1997

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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