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- Title
STRUCTURE AND MAGNETIC PROPERTIES OF Co<sub>12</sub>X(X = Ni, Ag, Pt, Au) CLUSTERS.
- Authors
LU, Q. L.; JIANG, J. C.; WAN, J. G.; WANG, G. H.
- Abstract
The ground state structures of Co12X(X=Ni, Ag, Pt, Au) clusters are obtained by a genetic algorithm with a Gupta-like many-body potential, and further optimized using the density functional theory with generalized gradient approximation. The structures of Co12X have a slightly distorted icosahedral pattern. The X atom is on the surface for the most stable configuration. Their total magnetic moments are 0μB, 3μB, 21μB, and 22μB, respectively. The reasons for the reduction of magnetism of Co12X are discussed in detail.
- Subjects
COBALT; TRANSITION metals; CLUSTER analysis (Statistics); MAGNETIC properties; GENETIC algorithms; DENSITY functionals; ELECTRONS
- Publication
International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2007, Vol 21, Issue 30, p5091
- ISSN
0217-9792
- Publication type
Article
- DOI
10.1142/S0217979207038241