Structure and Stability of Osn (n=2-10) Clusters

Xiu Rong Zhang; Fu Xing Zhang

doi:10.4028/www.scientific.net/AMR.1081.84

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HomeAdvanced Materials ResearchAdvanced Materials Research Vol. 1081Structure and Stability of Osn (n=2-10) Clusters

Structure and Stability of Os_n(n=2-10) Clusters

Abstract:

Geometric structure of Os_n(n=2-10) clusters are optimized by using Density functional theory (DFT) in DMOL3 package. For the ground-state structure, relative stability are analyzed. The results show that: the ground-state structures of the cluster are plane structure when n=2-4, but the ground-state structures are stereostructure when n≥5. There exhibits the odd-even oscillation effect in stability and Os₈ cluster has the highest stability.