Structural and electronic properties of Ren (${\sf n} \leq$ 8) clusters
by density-functional theory |
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Authors: | X J Feng T T Cao L X Zhao Y M Lei Y Luo |
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Institution: | (1) Department of Physics, East China University of Science and Technology, Shanghai, 200237, P.R. China |
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Abstract: | The structures, stabilities and electronic properties of
small-sized Ren (n ≤ 8) clusters have been
systematically investigated by density-functional theory. The
lowest-energy structures of Ren clusters favor 3-dimensional
configuration. The results of second-order
difference of energies indicate that Re4 and Re6 possess
relatively higher stability in structure. Importantly, our
theoretical results of electron affinity are in agreement with
experimental values, which can be responsible for the reliability
of the structures. |
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Keywords: | PACS" target="_blank">PACS 36 40 -c Atomic and molecular clusters |
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