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Phys. Rev. B 67, 224301 (2003) [9 pages]

Equations of state and thermodynamic properties of rare-gas solids under pressure calculated using a self-consistent statistical method

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A. I. Karasevskii*
Institute for Metal Physics, 36 Vernadsky str., Kiev, 03142, Ukraine

W. B. Holzapfel
Department Physik, Universität Paderborn, D-33095 Paderborn, Germany

Received 14 January 2003; published 6 June 2003

Equations of states (EOS’s) and thermodynamic properties of rare gas solids (RGS’s) under pressure are studied by a statistical method. On the basis of empirical effective two-body interactions for Ar, Kr, and Xe close agreement is obtained with experimental data for the pressure dependencies of the Grüneisen parameter and sound velocities as well as for the temperature dependence of the interatomic distance, the heat capacities, the bulk modulus, and Grüneisen parameter at ambient pressures. All these thermodynamic quantities are finally also calculated for 2, 5, and 10 GPa. Most remarkably a strong suppression of the intrinsic anharmonic contributions to the Gibbs free energy is noticed under strong compression and quantitatively evaluated.

© 2003 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.67.224301
DOI:
10.1103/PhysRevB.67.224301
PACS:
63.70.+h, 64.30.+t, 05.70.Ce, 65.40.-b

*Electronic address: akaras@imp.kiev.ua