First-Principles Study of the Structures and Electronic Properties of Nin–1Al (n = 2-20) Clusters
作者： W. Song , B. Wang , H.-Q. Li , J.-L. Wang , C. -Z. He
DOI: 10.1134/S0022476618030046
关键词:
摘要: The electronic properties, such as binding energy, magnetic property, charge transfer, ionization potential, and electron affinity, of Nin–1Al (n = 2-20) neutral ionic clusters are studied using the density functional theory calculations with PBE exchange-correlation energy functional. calculated total moments potential can decrease increase addition Al atom, respectively. affinity has occurred no significant change, except Ni16Al cluster.
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sci-hub.se 参考文章(16)
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