Short- and intermediate-range order in MCl2melts: the importance of anionic polarization
- 13 September 1993
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 5 (37) , 6833-6844
- https://doi.org/10.1088/0953-8984/5/37/004
Abstract
The partial radial distribution functions galpha beta (r) and partial structure factors Salpha beta (k) obtained in computer simulations of the ionic melts of stoichiometry MCl2 with a recently introduced polarizable ion model are described. The calculated quantities exhibit distinctive structural features which have been discovered experimentally and attributed to 'covalency'. These include a shift in the position of the principal peak of g++(r) relative to g--(r) with decreasing cation size and a pre-peak in S++(k).Keywords
This publication has 25 references indexed in Scilit:
- Liquid semiconductorsReports on Progress in Physics, 1990
- The structure of the molten nickel halidesJournal of Physics C: Solid State Physics, 1988
- Structure and dynamics of molten saltsReports on Progress in Physics, 1986
- The structures of molten magnesium and manganese (II) chloridesJournal of Physics C: Solid State Physics, 1984
- The determination of the partial pair distribution functions for molten strontium chlorideJournal of Physics C: Solid State Physics, 1982
- The structure of molten zinc chlorideJournal of Physics C: Solid State Physics, 1981
- Structural properties of ionic liquidsAdvances in Physics, 1980
- The structure of molten barium chlorideJournal of Physics C: Solid State Physics, 1978
- Molecular dynamics studies of the vitreous state: Simple ionic systems and silicaThe Journal of Chemical Physics, 1976
- The structure of molten sodium chlorideJournal of Physics C: Solid State Physics, 1975