STRUCTURE AND MAGNETIC PROPERTIES OF Co12X(X = Ni, Ag, Pt, Au) CLUSTERS.

Authors :: LU, Q. L.
JIANG, J. C.
WAN, J. G.
WANG, G. H.
Source :: International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics; 12/10/2007, Vol. 21 Issue 30, p5091-5098, 8p, 2 Diagrams, 3 Charts
Publication Year :: 2007
Abstract: The ground state structures of Co<subscript>12</subscript>X(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 Co<subscript>12</subscript>X have a slightly distorted icosahedral pattern. The X atom is on the surface for the most stable configuration. Their total magnetic moments are 0μ<subscript>B</subscript>, 3μ<subscript>B</subscript>, 21μ<subscript>B</subscript>, and 22μ<subscript>B</subscript>, respectively. The reasons for the reduction of magnetism of Co<subscript>12</subscript>X are discussed in detail. [ABSTRACT FROM AUTHOR]

Subjects :: COBALT
TRANSITION metals
CLUSTER analysis (Statistics)
MAGNETIC properties
GENETIC algorithms
DENSITY functionals
ELECTRONS

Language :: English
ISSN :: 02179792
Volume :: 21
Issue :: 30
Database :: Complementary Index
Journal :: International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics
Publication Type :: Academic Journal
Accession number :: 27957003
Full Text :: https://doi.org/10.1142/S0217979207038241