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:	Mr. Ravikumar R
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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