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Proceedings Paper

Study of single structure of Co[sub]n[/sub] (n=6, 8, 10, 12, 14,16,18) nanoparticles
Author(s): Jelena Tamulienė; Goncal Badenes; Rimas Vaišnoras; Mindaugas L. Balevičius; Loreta Rasteniene
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Paper Abstract

Electronic and geometrical structures of Con (n=6, 8, 9, 10, 12, 14) particles have been studied using both the density functional theory and Hartree-Fock calculations. Structural and electronic differences to the corresponding clusters are presented. We have tried to recognize which structure (fcc or bcc) is more preferable for these particles. A four-fold and higher coordination of the Co atoms was found to be the particularly preferable coordination environment in small Con species. The key element of the Co particle is alsosuggested.

Paper Details

Date Published: 17 June 2009
PDF: 6 pages
Proc. SPIE 7377, Twelfth International Workshop on Nanodesign Technology and Computer Simulations, 737709 (17 June 2009); doi: 10.1117/12.836438
Show Author Affiliations
Jelena Tamulienė, Institute of Theoretical Physics and Astronomy (Lithuania)
Vilnius Pedagogical Univ. (Lithuania)
Goncal Badenes, Institut de Ciences Fotoniques ICFO (Spain)
Rimas Vaišnoras, Vilnius Pedagogical Univ. (Lithuania)
Mindaugas L. Balevičius, Vilnius Univ. (Lithuania)
Loreta Rasteniene, Vilnius Pedagogical Univ. (Lithuania)

Published in SPIE Proceedings Vol. 7377:
Twelfth International Workshop on Nanodesign Technology and Computer Simulations
Alexander I. Melker; Vladislav V. Nelayev, Editor(s)

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