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Electronic Properties of Small Free Co Clusters
Author(s) -
AguileraGranja F.,
MontejanoCarrizales J.M.,
Guevara J.,
Llois A.M.
Publication year - 2000
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/1521-3951(200007)220:1<455::aid-pssb455>3.0.co;2-l
Subject(s) - materials science
We present a systematic study of the average magnetic moments and the non‐metal–metal transition of free Co N clusters having different geometries: hexahedral, octahedral and decahedral. The electronic structure is calculated with a parameterized Hubbard Hamiltonian with spd electrons within the unrestricted Hartree‐Fock approximation, and spill‐over effects are considered. We compare our calculations with other theoretical calculations in the literature. We also comment on the experimental results.