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Solid State Communications
Volume 129, Issue 6, February 2004, Pages 411-413
 
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doi:10.1016/j.ssc.2003.08.001    How to Cite or Link Using DOI (Opens New Window)
Copyright © 2003 Published by Elsevier Science Ltd.

A study of the mechanical and structural properties of polonium

Robert E. KraigCorresponding Author Contact Information, E-mail The Corresponding Author, a, b, David Roundya, b and Marvin L. Cohena, b

a Department of Physics, University of California at Berkeley, Berkeley, CA 94720, USA b Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA

Received 22 May 2003; 
accepted 2 August 2003;
by S.G. Louie 
Available online 15 August 2003.

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Abstract

We have performed an ab initio study of the structure of polonium. By calculating total energies in a number of tetragonal lattice configurations, we have shown that the simple cubic structure is preferred by the system. The other two zero-stress structures, bcc and fcc, correspond to inflection points along this path. These calculations agree with experimental evidence that polonium is the only known element to assume the simple cubic structure at room temperature. We have found an LDA lattice constant of 3.28 Å, and we have obtained two of the elastic constants: C11=113 GPa and C12=28 GPa.

Author Keywords: C. Crystal structure

PACS classification codes: 62.20.Dc; 61.66.Bi

Article Outline

• Acknowledgements
• References





Solid State Communications
Volume 129, Issue 6, February 2004, Pages 411-413
 
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