Thermodynamic functions of harmonic Coulomb crystals

D. A. Baiko, A. Y. Potekhin, and D. G. Yakovlev
Phys. Rev. E 64, 057402 – Published 24 October 2001
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Abstract

Phonon frequency moments and thermodynamic functions (electrostatic and vibrational parts of the free energy, internal energy, and heat capacity) are calculated for bcc and fcc Coulomb crystals in the harmonic approximation with a fractional accuracy 105. Temperature dependence of thermodynamic functions is fitted by analytical formulas with an accuracy of a few parts in 105. The static-lattice (Madelung) part of the free energy is calculated with an accuracy of 1012. The Madelung constant and frequency moments of hcp crystals are also computed.

  • Received 20 April 2001

DOI:https://doi.org/10.1103/PhysRevE.64.057402

©2001 American Physical Society

Authors & Affiliations

D. A. Baiko, A. Y. Potekhin, and D. G. Yakovlev

  • Ioffe Physico-Technical Institute, 194021 St. Petersburg, Russia

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Issue

Vol. 64, Iss. 5 — November 2001

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