STUDY OF SINGLE STRUCTURE OF Co_n (n=6, 8,10,12,14,16,18) NANOPARTICLES

摘要

Electronic and geometrical structures of Co_n (n=6, 8, 9, 10, 12, 14) particles have been studied using both the density functional theory and Hartree-Fock calculations. Structural and electronic differences to the corresponding clusters are presented. We have tried to recognize which structure (fcc or bcc) is more preferable for these particles. A four-fold and higher coordination of the Co atoms was found to be the particularly preferable coordination environment in small Co_n species. The key element of the Co particle is alsosuggested.