Structure, reactivity and electronic properties of Mn doped Ni13 clusters

被引：6

作者：

Banerjee, Radhashyam ^{[1
]}

Datta, Soumendu ^{[1
]}

Mookerjee, Abhijit ^{[1
]}

机构：

[1] SN Bose Natl Ctr Basic Sci, Dept Mat Sci, Kolkata 700098, India

来源：

PHYSICA B-CONDENSED MATTER | 2013年 / 419卷

关键词：

NiMn clusters; Magnetism; Hydrogen absorption; MAGNETIC-PROPERTIES;

D O I：

10.1016/j.physb.2013.03.027

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

In this work we have studied the structural and magnetic properties of Ni-13 cluster mono- and hi-doped with Mn atoms. We have noted their tendency of being reactive toward the H-2 molecule. We have found unusually enhanced stability in the mono-doped cluster (i.e. of the Ni12Mn) and the diminished stability of the corresponding chemisorbed cluster, Ni12MnH2. Our analysis of the stability and HOMO-LUMO gap explains this unusual behavior. Interestingly, we have also seen the quenching in the net magnetic moment upon H-2 absorption in the doped Ni13-mMnm alloy clusters. This has been reported earlier for smaller Ni-n clusters [1]. (C) 2013 Elsevier B.V. All rights reserved.

引用

页码：86 / 89

页数：4

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