Photoelectron spectroscopy and density-functional calculations of silver cluster anions doped with a cobalt atom: Size dependent sp-d interaction

被引：20

作者：

Tono, Kensuke ^{[2
]}

Terasaki, Akira ^{[1
]}

Ohta, Toshiaki ^{[3
]}

Kondow, Tamotsu ^{[1
]}

机构：

[1] Genesis Res Inst Inc, Toyota Technolog Inst E Tokyo Lab, Cluster Res Lab, Chiba 2720001, Japan

[2] Tokyo Univ Sci, Fac Sci, Dept Chem, Tokyo 1628601, Japan

[3] Univ Tokyo, Sch Sci, Dept Chem, Tokyo 1130033, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2007年 / 449卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2007.10.077

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：

Electronic structures of AgnCo- (n = 6-8) were investigated by photoelectron spectroscopy and density-functional calculations. The local spin magnetic moments on Co were found to be 2.04, 1.48, and 0 mu(B) for n = 6, 7, and 8, respectively. A strong sp-d interaction in n = 8 allows the Co 3d orbitals to form a closed electronic shell, whereas the Co 3d shells in n = 6 and 7 remain open with finite spins under a weak sp-d interaction. The present result demonstrates significant size dependence of an sp-d interaction in a metal cluster containing a magnetic impurity. (C) 2007 Elsevier B.V. All rights reserved.

引用

页码：276 / 281

页数：6

共 6 条

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[2] Cluster size convergent full relativistic density-functional calculations of single atom adsorption
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[6] Size-dependent structures of NanIn-1+ cluster ions with a methanol adsorbate:: A combined study by photodissociation spectroscopy and density-functional theory calculation -: art. no. 161101
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