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

共 50 条

[1] ELECTRONIC PROPERTIES OF METAL CLUSTERS (NI13 TO NI87) AND IMPLICATIONS FOR CHEMISORPTION
MELIUS, CF
UPTON, TH
GODDARD, WA
SOLID STATE COMMUNICATIONS, 1978, 28 (07) : 501 - 504
[2] Oxidation of Ni13 clusters
Schleder, Gabriel R.
Fazzio, Adalberto
Arantes, Jeverson T.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 119 (09)
[3] Structure and atomic vibrations in bimetallic Ni13 − nAln clusters
G. G. Rusina
S. D. Borisova
E. V. Chulkov
JETP Letters, 2015, 101 : 474 - 480
[4] Structure, reactivity, and electronic properties of V-doped Co clusters
Datta, Soumendu
Kabir, Mukul
Saha-Dasgupta, Tanusri
Mookerjee, Abhijit
PHYSICAL REVIEW B, 2009, 80 (08)
[5] Electronic Properties in Mn Doped and Pure NiO clusters
Barman, Moumita
Paul, Somnath
Sarkar, A.
PROCEEDING OF INTERNATIONAL CONFERENCE ON RECENT TRENDS IN APPLIED PHYSICS & MATERIAL SCIENCE (RAM 2013), 2013, 1536 : 427 - 428
[6] Electronic structure and magnetic properties of Ni clusters
Duan, HM
Gong, XG
Zheng, QQ
Lin, HQ
JOURNAL OF APPLIED PHYSICS, 2001, 89 (11) : 7308 - 7310
[7] Dehydrochlorination of PCDDs on SWCN-Supported Ni10 and Ni13 Clusters, a DFT Study
Gonzalez, Silvia
Porras, Martha
Jimbo, Arianna
Zambrano, Cesar H.
MOLECULES, 2022, 27 (16):
[8] Crystal structure and phase relations of Ni13±xAlySi9-y
Richter, KW
JOURNAL OF ALLOYS AND COMPOUNDS, 2002, 338 (1-2) : 43 - 50
[9] First-principles study on the structure, electronic, and magnetic properties of Mn-doped (ZnS)12 clusters
Chen, Hongxia
Shi, Daning
Qi, Jingshan
Wang, Baolin
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2010, 43 (01): : 117 - 124
[10] ELECTRONIC-STRUCTURE AND MAGNETIC-BEHAVIOR OF NI-13 CLUSTERS
REUSE, FA
KHANNA, SN
BERNEL, S
PHYSICAL REVIEW B, 1995, 52 (16) : 11650 - 11653

← 1 2 3 4 5 →