Calculation of Thermal Expansion, Compressiblity, an Melting in Alkali Halides: NaCl and KCl
- 26 February 1979
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 42 (9), 584-587
- https://doi.org/10.1103/physrevlett.42.584
Abstract
A parameter-free calculation of the equation of state for KCl and NaCl is presented which gives an accurate prediction of the equilibrium lattice constant over wide-ranging values of pressure and temperature. The results also show a lattice instability which is consistent with melting.Keywords
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