Calculation of static, dynamic, and thermodynamic properties of solid
- 15 May 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 47 (20) , 13903-13905
- https://doi.org/10.1103/physrevb.47.13903
Abstract
Using a simple intermolecular potential we study a large number of properties of solid in its sc and fcc phases. By establishing an equation of state for the cell parameter a(P,T) we are able to calculate the behavior of both phases as a function of temperature and pressure in a unified, consistent framework.
Keywords
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