Elastic Properties of the bcc structure of Bismuth at high pressure

Gutierrez, G and Menendez, PE 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: 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)
Depositing User: Users 64 not found.
Date Deposited: 20 Aug 2008
Last Modified: 18 Aug 2015 04:32
URI: http://nal-ir.nal.res.in/id/eprint/1893

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