Open AccessTHEORETICAL STUDY ON ELECTRONIC STRUCTURE OF COBALT CLUSTERS
Author(s) -
Jun Li,
Gong Xiao-min,
Jiaming Li
Publication year - 1995
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.44.1727
Subject(s) - cluster (spacecraft) , cobalt , valence electron , valence (chemistry) , magnetic moment , scattering , electron , atomic physics , electron scattering , electronic structure , electron counting , moment (physics) , chemistry , molecular physics , materials science , physics , condensed matter physics , computational chemistry , computer science , inorganic chemistry , optics , quantum mechanics , organic chemistry , programming language
Based on multiple-scattering self-consistent-field method, we have investigated the electron structrue of Co. cluster (n= 3-13). Comparing the calculated ioniza-tion potentials for different geometries and electron configurations with the experimental values, we can study the appropriate electron configuration and geometric structure of Co.. From the occupation of local 3d valence electron in configuration, we found, generally speaking, that the average atomic magnetic moment of Co clusters decreases as the number of atoms increases. From the geometry of cobalt clusters, we also surmise the various formation of Co. cluster.