Magnetic moment and photo-detachment spectroscopy of Ni5 clusters

被引：14

作者：

Khanna, SN ^{[1
]}

Jena, P ^{[1
]}

机构：

[1] Virginia Commonwealth Univ, Dept Phys, Richmond, VA 23284 USA

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 336卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(01)00152-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Total energy calculations of a neutral and charged Ni-5 cluster and its isomers corresponding to different spin multiplicities have been carried out using density functional theory and generalized gradient approximation. It is demonstrated that its magnetic moment can be determined by comparing theoretical results with photo-detachment spectroscopy experiment. We find Ni-5 to have two nearly degenerate isomers with magnetic moments of 0.8 mu (B) per atom and 1.2 mu (B) per atom. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：467 / 472

页数：6

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