Systematics of elasticity: Ab initio study in B1-type alkaline earth oxides

T. Tsuchiya, K. Kawamura

Research output: Contribution to journalArticle

109 Citations (Scopus)

Abstract

Four B1-type alkaline earth oxides were studied to calculate the elastic properties and their pressure dependence using the ab initio full-potential linear muffin-tin-orbital (FP-LMTO) generalized gradient approximated (GGA) method. The derivation from the cauchy relation and elastic anisotropy of four oxides was also shown. The systematics of elasticity were investigated by the introduction of the normalized elastic constants. The difference in the Cauchy derivation and elastic anisotropy of alkaline earth oxides showed the systematic decrease in the elastically destabilized pressure.

Original languageEnglish
Pages (from-to)10086-10093
Number of pages8
JournalThe Journal of Chemical Physics
Volume114
Issue number22
DOIs
Publication statusPublished - Jun 8 2001
Externally publishedYes

Fingerprint

alkaline earth oxides
Oxides
Elasticity
elastic anisotropy
elastic properties
Earth (planet)
Anisotropy
derivation
anisotropy
Gradient methods
Tin
Elastic constants
pressure dependence
tin
orbitals
gradients
oxides

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Systematics of elasticity : Ab initio study in B1-type alkaline earth oxides. / Tsuchiya, T.; Kawamura, K.

In: The Journal of Chemical Physics, Vol. 114, No. 22, 08.06.2001, p. 10086-10093.

Research output: Contribution to journalArticle

Tsuchiya, T. ; Kawamura, K. / Systematics of elasticity : Ab initio study in B1-type alkaline earth oxides. In: The Journal of Chemical Physics. 2001 ; Vol. 114, No. 22. pp. 10086-10093.
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