First-principles study of systematics of high-pressure elasticity in rare gas solids, Ne, Ar, Kr, and Xe

Taku Tsuchiya, Katsuyuki Kawamura

Research output: Contribution to journalArticle

67 Citations (Scopus)

Abstract

RGS is a typical material composed of the vdW interaction. The elastic properties and the pressure dependence of four RGSs (Ne, Ar, Kr, and Xe) are predicted using the ab initio FPLMTO method with LDA. The calculated EOS are fairly satisfactory in the entire pressure condition up to 1 megabar and do not depend on the choice of equation under the present pressure range.

Original languageEnglish
Pages (from-to)5859-5865
Number of pages7
JournalJournal of Chemical Physics
Volume117
Issue number12
DOIs
Publication statusPublished - Sep 22 2002

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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