Thermodynamic properties of sodium: A first-principles study

Yi Wang, Yun Feng Sun

Research output: Contribution to journalArticle

9 Scopus citations

Abstract

The thermal expansion, Hugoniot state and 300 K isotherm of sodium have been calculated on the basis of: (i) the accurate calculations of 0 K total energies with the full-potential linearized augmented plane wave method within the generalized gradient approximation to exchange-correlational functional; and (ii) the newly developed classical mean-field statistics where both the cold and thermal parts of the Helmholtz free-energy are entirely derived from the 0 K total energy. A quite satisfactory agreement between calculation and experiment has been observed. Our approach does not invoke any empirical parameter, which has long been desirable for the field of material science.

Original languageEnglish (US)
Pages (from-to)864-867
Number of pages4
JournalChinese Physics Letters
Volume18
Issue number7
DOIs
StatePublished - Jul 1 2001

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Fingerprint Dive into the research topics of 'Thermodynamic properties of sodium: A first-principles study'. Together they form a unique fingerprint.

  • Cite this