Ab initio study of pressure effect on elastic properties of crystalline Au

Taku Tsuchiya, Katsuyuki Kawamura

Research output: Contribution to journalArticle

35 Citations (Scopus)

Abstract

The ab initio FP-LMTO method within the LDA was employed to investigate elastic properties and their pressure dependence on fcc-formed crystalline Au. The calculated EOS of Au agreed satisfactorily with the available experimental data in the wide pressure range up to 70 GPa. The calculated elastic constants of Au and their pressure dependencies support the observations showing the relatively small pressure derivatives. Two types of elastic anisotropy factor show in the same way that Au has large anisotropy even at zero pressure and it is further enhanced by compression. The normalized elastic constants of Au significantly deviate from the ideal values and are insensitive to pressure.

Original languageEnglish
Pages (from-to)2121-2124
Number of pages4
JournalThe Journal of Chemical Physics
Volume116
Issue number5
DOIs
Publication statusPublished - Feb 1 2002
Externally publishedYes

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Pressure effects
pressure effects
elastic properties
Crystalline materials
Elastic constants
Anisotropy
elastic anisotropy
pressure dependence
anisotropy
Derivatives

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Ab initio study of pressure effect on elastic properties of crystalline Au. / Tsuchiya, Taku; Kawamura, Katsuyuki.

In: The Journal of Chemical Physics, Vol. 116, No. 5, 01.02.2002, p. 2121-2124.

Research output: Contribution to journalArticle

Tsuchiya, Taku ; Kawamura, Katsuyuki. / Ab initio study of pressure effect on elastic properties of crystalline Au. In: The Journal of Chemical Physics. 2002 ; Vol. 116, No. 5. pp. 2121-2124.
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