Elastic Properties of the bcc structure of Bismuth at high pressure

Gutierrez, Gonzalo and Menendez-Proupin, Eduardo and Singh, AK (2006) Elastic Properties of the bcc structure of Bismuth at high pressure. Journal of Applied Physics, 99 (103504).

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    Abstract

    First-principles calculations of the single-crystal elastic constants of the body-centered cubic phase of bismuth are carried out in the pressure range of 31x2013;191 GPa. The calculations are performed in the framework of density functional theory with generalized gradient approximation using a plane wave basis set and pseudopotential scheme. These results confirm the conclusions drawn in a recent study based on the x-ray diffraction data under nonhydrostatic compression. The calculated unit cell volumes and the bulk moduli as a function of pressure agree well with the experimentally measured values.

    Item Type: Journal Article
    Additional Information: Copyright for this article belongs to American Institute of Physics
    Uncontrolled Keywords: Elastic property;Bismuth;BCC structure
    Subjects: CHEMISTRY AND MATERIALS > Inorganic, Organic and Physical Chemistry
    CHEMISTRY AND MATERIALS > Chemistry and Materials (General)
    Division/Department: Other, Other, Materials Science Division
    Depositing User: Mr. Ravikumar R
    Date Deposited: 20 Aug 2008
    Last Modified: 24 May 2010 09:44
    URI: http://nal-ir.nal.res.in/id/eprint/1893

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