Ab initio study of the site ordering in the GaSb β-Sn phase
Abstract
Site ordering of the β-Sn phase of GaSb 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-Sn phase of GaSb. This theoretical work confirms the latest EXAFS results where a local chemical disorder was observed.
- Publication:
-
EPL (Europhysics Letters)
- Pub Date:
- August 2003
- DOI:
- 10.1209/epl/i2003-00492-x
- Bibcode:
- 2003EL.....63..545L
- Keywords:
-
- 62.50.+p;
- 64.60.Cn;
- 64.70.Kb;
- High-pressure and shock wave effects in solids and liquids;
- Order-disorder transformations;
- statistical mechanics of model systems;
- Solid-solid transitions