Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1449495 | Acta Materialia | 2008 | 7 Pages |
Abstract
The structural, optical and electronic properties of 13-atom Ag–Au nanoalloys are determined by a combination of global optimization using semi-empirical potentials and density functional theory calculations. A family of Au surface-segregated structures are found for core–shell AgnAu13−n (n = 1, 2, 3, 5, 7, 8, 9, 12) and hollow AgnAu13−n (n = 4, 6, 10, 11) clusters, whose stability is enhanced by directional charge transfer. The atomic ordering in core–shell structures is related to the electric dipole moment and odd-numbered surface Au-atom clusters have high moments. Their ferroelectric and ferromagnetic properties provide a potential approach for tailoring their surface plasmonic modes.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
Fuyi Chen, Roy L. Johnston,