Ab initio energetics of transition metal ordering in decagonal Al-Co-Cu

Authors
Widom, M Al-Lehyani, I Wang, Y Cockayne, E
Citation
M. Widom et al., Ab initio energetics of transition metal ordering in decagonal Al-Co-Cu, MAT SCI E A, 294, 2000, pp. 295-298
Citations number
9
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science","Material Science & Engineering
Journal title
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
ISSN journal
09215093 → ACNP
Volume
294
Year of publication
2000
Pages
295 - 298
Database
ISI
SICI code
0921-5093(200012)294:<295:AIEOTM>2.0.ZU;2-4
Abstract
We perform ab initio total energy calculations fur approximants to a model of decagonal Al-Co-Cu. These calculations support previously proposed chemi cal ordering of Co and Cu atoms along tile edges. Preferred arrow orientati ons are identified and shown to obey a subset of the single-arrow Penrose m atching rules. (C) 2000 Elsevier Science B.V. All rights reserved.