Abstract

The electronic charge transference and local magnetic moment of the YCo5 intermetallic compound were calculated using SCF-MO-DVXα method and multiple cluster model. The result shows that about one 4d-electron is transferred from anY atom to Co1(2c), and the calculated local spin magnetic moments of CoI(2c) and CoII(3g) atoms in YCo5 compound are 1.33 and 1.48μ B , respectively, which are in very good agreement with experiments.

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