Structural changes in liquid selenium with increasing temperature

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Abstract

Structural models of liquid selenium, containing up to 20,000 atoms, have been constructed by means of Reverse Monte Carlo modelling. The models are consistent with a set of X-ray diffraction results obtained at elevated temperatures and pressures. Based on the characteristics of these models we suggest that the general view of the liquid as a collection of chain-like molecules, especially close to the critical point, is probably inappropriate. Instead, near-critical (metallic) fluid Se could be considered as an atomic liquid where first neighbor orientational correlations strongly resemble those found in the solid forms of selenium.

Original languageEnglish
Pages (from-to)115-119
Number of pages5
JournalJournal of Molecular Liquids
Volume129
Issue number1-2
DOIs
Publication statusPublished - Oct 15 2006

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Keywords

  • Liquid selenium
  • Reverse Monte Carlo modelling

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

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