Abbreviated Journal Title
Phys. Rev. B
Keywords
TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; MELTING-POINT; CLUSTERS; NANOPARTICLES; METALS; ALLOY; NANOSTRUCTURES; DYNAMICS; NOBLE; Physics, Condensed Matter
Abstract
The properties of several Au-N and AuN-xFex nanoclusters are obtained by means of classical molecular dynamics calculations. In particular we study the configurations Au-147, Au134Fe13, Au-309, and Au254Fe55, which correspond to icosahedral magic numbers, for both the gold and the iron. We investigate the melting and freezing processes, atomic diffusion, hardness, vibration spectra, and specific heat of these nanoclusters. All the data obtained point toward the stability of the AuN-xFex system, with the gold atoms on the outside of the iron core.
Journal Title
Physical Review B
Volume
83
Issue/Number
15
Publication Date
1-1-2011
Document Type
Article
Language
English
First Page
8
WOS Identifier
ISSN
1098-0121
Recommended Citation
González, Rafael I.; García, G.; Ramírez, R.; Kiwi, Miguel; Valdivia, J. A.; and Rahman, Talat S., "Temperature-dependent properties of 147-and 309-atom iron-gold nanoclusters" (2011). Faculty Bibliography 2010s. 1330.
https://stars.library.ucf.edu/facultybib2010/1330
Comments
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