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
收藏
页码：86 / 89
页数：4
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