Copyright © 2003 Published by Elsevier Science Ltd.
A study of the mechanical and structural properties of polonium
Received 22 May 2003;
accepted 2 August 2003;
by S.G. Louie
Available online 15 August 2003.
References and further reading may be available for this article. To view references and further reading you must purchase this article.
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






E-mail Article
Add to my Quick Links

Cited By in Scopus (4)

X-ray = 9·142 g/cm3. Beta polonium is rhombohedral and in space group R




