Thermodynamic functions of harmonic Coulomb crystals

D. A. Baiko, A. Y. Potekhin, D. G. Yakovlev
Physico-Technical Institute, St Petersburg, Russia

For one-component Coulomb crystals, phonon frequency moments (for the bcc, fcc, and hcp lattices) and thermodynamic functions (electrostatic and vibrational parts of the free energy, internal energy, and heat capacity for the bcc and fcc lattices) are calculated in the harmonic approximation with a fractional accuracy <10-5. The static-lattice (Madelung) part of the free energy is calculated with an accuracy ~ 10-12, whereas its thermal harmonic part is calculated and fitted by analytic formulae with a fractional accuracy within 6.10-6.


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