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 105. Temperature dependence of thermodynamic functions is fitted by analytic formulas with an accuracy of a few parts in 105. 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.
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