Thermodynamic functions of harmonic Coulomb crystals

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 within one part on 10^5. Temperature dependence of thermodynamic functions is fitted by analytic formulas with an accuracy of a few parts in 10^5. The static-lattice (Madelung) part of the free energy is calculated with an accuracy about 10^{-12}. The Madelung constant and frequency moments of hcp crystals are also computed.

5 pages, 2 tables, RevTeX3. Scheduled to November 2001 issue of Phys. Rev. E

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