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Tight-binding calculation of structural properties of bulk Cu3Au and its corresponding clusters
- Source :
- Superlattices and Microstructures; July 2001, Vol. 30 Issue: 1 p21-28, 8p
- Publication Year :
- 2001
-
Abstract
- A general tight-binding total energy scheme is used to calculate the structural properties of the intermetallic compound Cu3Au in different phases (L12, A15, NaCl, D09and D022). In most cases there is good agreement between our results and experiments. We also investigate the structural properties of different forms of the clusters (CuAu, CuAu2, CuAu3and Cu6Au8).
Details
- Language :
- English
- ISSN :
- 07496036 and 10963677
- Volume :
- 30
- Issue :
- 1
- Database :
- Supplemental Index
- Journal :
- Superlattices and Microstructures
- Publication Type :
- Periodical
- Accession number :
- ejs742005
- Full Text :
- https://doi.org/10.1006/spmi.2001.0988