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 < or equivalent to 10(-5). Temperature dependence of thermodynamic functions is fitted by analytical 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 of approximately 10(-12). The Madelung constant and frequency moments of hcp crystals are also computed.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.