Magnetic Anomaly and Shell Structure of Electronic states of Nickel Microclusters
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概要
- 論文の詳細を見る
Magnetism and electronic structure of Ni. clusters are calculated by the spinpolarized DV-Xcc-LCAO method for N=4, 6, 8, 13, 14 and 19. The valence 3d clccirons are localized within the atoms of the clusters and separated from the 4s' valenceelectrons which extend over the whole cluster. The 4s electronic states well correspondto those of the shell model. Since the highest occupied molecular orbital is within the3d band, there exist 3d holes. Physically, the number is 2 for 4<V<8, 8 for8 fi,V3 18, and 18 for 7V= 19 and 20. This results in the stepwise change of magnitudeof the total spin as a function of ./V. This 3d magnetic anomaly is closely related to the4s shell structure and expected to appear in a series of transition-metal clusters. Thisanomaly is different from the so-called Kubo effect of fine particles of simple metals.
- 社団法人日本物理学会の論文
- 1989-09-15
著者
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Yamaguchi Tsuyoshi
Faculty Of Engineering Shizuoka University
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Fujima Nobuhisa
Faculty Of Engineering Shizuoka University
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