Theoretical Study of Differences between Surface and Bulk Electronic States in Cu Clusters

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Abstract:

The size-dependent electronic structures of metal clusters Cun (n=2-20) have been calculated using density functional theory method. The results reveal that their electronic properties are almost the same as bulk material if the cluster size larger than a critical value. The properties can be understood by a surface-noncrystalline-layer model that composed of an interior crystalline-like core and an outer surface noncrystalline layer.

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Solid State Phenomena (Volumes 121-123)

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1189-1192

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March 2007

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© 2007 Trans Tech Publications Ltd. All Rights Reserved

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