A density functional calculation of the liquid-solid phase diagram of a charged-hard-spheres model of a salt
- 20 March 1987
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 20 (8) , 1031-1040
- https://doi.org/10.1088/0022-3719/20/8/006
Abstract
The density functional theory of freezing is applied to the calculation of the liquid-solid phase diagram of the restricted primitive model of a molten salt. As the temperature is lowered, the structure of the solid changes from a disordered, face-centred cubic (FCC) structure to a caesium chloride (CsCl) structure, with a triple point at about 2500 K for ions of diameter 3 AA.Keywords
This publication has 19 references indexed in Scilit:
- Density functional theory of freezing with reference liquidJournal of Physics C: Solid State Physics, 1986
- The freezing of hard spheresMolecular Physics, 1986
- A molecular theory for freezing: Comparison of theories, and results for hard spheresThe Journal of Chemical Physics, 1986
- The freezing of hard spheresMolecular Physics, 1985
- The freezing of hard spheresMolecular Physics, 1985
- Pressure-induced successive phase transitions in CsI and its equation of state in relation to metallizationPhysical Review B, 1984
- Equation of state and high-pressure phase transition of CsIPhysical Review B, 1984
- Freezing of Ionic Melts into Normal and Superionic PhasesPhysics and Chemistry of Liquids, 1983
- A molecular theory for the freezing of hard spheresThe Journal of Chemical Physics, 1983
- A molecular theory for the solid–liquid interfaceThe Journal of Chemical Physics, 1981