Structural changes in liquid selenium with increasing temperature

✍ Scribed by Pál Jóvári; László Pusztai

• Publisher: Elsevier Science
• Year: 2006
• Tongue: English
• Weight: 235 KB
• Volume: 129
• Category: Article
• ISSN: 0167-7322
• DOI: 10.1016/j.molliq.2006.08.017

✦ Synopsis

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.