| Issue |
Europhys. Lett.
Volume 63, Number 4, August 2003
|
|
|---|---|---|
| Page(s) | 545 - 548 | |
| Section | Condensed matter: structure, mechanical and thermal properties | |
| DOI | https://doi.org/10.1209/epl/i2003-00492-x | |
| Published online | 01 November 2003 | |
Ab initio study of the site ordering in the 
β-
phase
Condensed Matter Physics Laboratory, University of Liège, B5 B-4000, Sart-Tilman, Belgium
Received:
3
April
2003
Accepted:
17
June
2003
Site ordering of the β- phase of is
studied in the framework of the density functional formalism.
Different order configurations are compared in order to elucidate
the local structure of the β- phase of .
This theoretical work confirms the latest EXAFS results where a
local chemical disorder was observed.
PACS: 62.50.+p – High-pressure and shock-wave effects in solids and liquids / 64.60.Cn – Order-disorder transformations; statistical mechanics of model systems / 64.70.Kb – Solid-solid transitions
© EDP Sciences, 2003
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