Electronic structure and magnetism of clusters Nin(n=2-6)

Acta Metall Sin

2005, Vol. 41

Issue (3): 242-244 DOI:

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Electronic structure and magnetism of clusters Nin(n=2-6)

DONG Jianmin; LI Hua; ZHANG Changwen; PAN Fengchun; WANG Yongjuan; ZHEN Peng

School of Physics and Microelectronics; Shandong University; Jinan 250100

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DONG Jianmin; LI Hua; ZHANG Changwen; PAN Fengchun; WANG Yongjuan; ZHEN Peng. Electronic structure and magnetism of clusters Nin(n=2-6). Acta Metall Sin, 2005, 41(3): 242-244 .

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Abstract The electronic structure and magnetism of clusters Nin(n=2-6) have been studied by spin-polarized MS-Xα method. The results show that the effect of the cluster symmetry on its atomic magnetic moment and electronic density of states is very notable. Ni6 cluster is an octahedron belonging to Oh point group. Its 3Eg orbital presents strong negative exchange coupling and has a trend of antiferromagnetic couplings. Ni5 cluster is of three-side pyramidal structure belonging to point group C3v. The magnetic moment direction of Ni atom lying on vertex of the pyramid is antiparallel to the moment direction of the Ni atoms lying on underside of the pyramid, which present the characteristic of ferrimagnetic couplings. Compared with metal nickel, the magnetic moments of some clusters are enhanced and some are weakened. The abnormal phenomenon of surface magnetism of ferromagnetic superfine particles can be well explained using this result.

Key words: Nin cluster symmetry electronic structure

Received: 21 June 2004

ZTFLH:	O562.1
	O482.52

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	DONG Jianmin
	LI Hua
	ZHANG Changwen
	PAN Fengchun
	WANG Yongjuan
	ZHEN Peng

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https://www.ams.org.cn/EN/ OR https://www.ams.org.cn/EN/Y2005/V41/I3/242

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