Geometry and bonding in small (C-60)(n)Ni-m clusters

Authors
Andriotis, AN Menon, M
Citation
An. Andriotis et M. Menon, Geometry and bonding in small (C-60)(n)Ni-m clusters, PHYS REV B, 60(7), 1999, pp. 4521-4524
Citations number
18
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B-CONDENSED MATTER
ISSN journal
01631829 → ACNP
Volume
60
Issue
7
Year of publication
1999
Pages
4521 - 4524
Database
ISI
SICI code
0163-1829(19990815)60:7<4521:GABIS(>2.0.ZU;2-W
Abstract
Small Ni-m(C-60)(n) clusters with n+m less than or equal to 4 are studied u sing the tight-binding molecular-dynamics method generalized to treat heter onuclear systems. Our results confirm recent experimental deduction of the bonding behavior of Ni towards C-60. The direction of the charge transfer i s found to depend on the geometry of thee Ni-m(C-60)(n) cluster. Furthermor e, the present results reveal a striking dissimilarity in the bonding behav ior between Ni-C-60 and Ni-graphite systems. [S0163-1829(99)01531-3].