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Title: Magnetic Moment Enhancement for Mn7 Cluster on Graphene

Abstract

Mn7 cluster on graphene with different structural motifs and magnetic orders are investigated systematically by first-principles calculations. The calculations show that Mn7 on graphene prefers a two-layer motif and exhibits a ferrimagnetic coupling. The magnetic moment of the Mn7 cluster increases from 5.0 μB at its free-standing state to about 6.0 μB upon adsorption on graphene. Mn7 cluster also induces about 0.3 μB of magnetic moment in the graphene layer, leading to an overall enhancement of 1.3 μB magnetic moment for Mn7 on graphene. Detail electron transfer and bonding analysis have been carried out to investigate the origin of the magnetic enhancement.

Authors:
 [1];  [1];  [2];  [1]
  1. Ames Laboratory
  2. Beijing Computational Science Research Center
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1166714
Report Number(s):
IS-J 8453
Journal ID: ISSN 1932-7447
DOE Contract Number:
DE-AC02-07CH11358
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physical Chemistry. C; Journal Volume: 118; Journal Issue: 33
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Magnetic Phenomena

Citation Formats

Liu, Xiaojie, Wang, Cai-Zhuang, Lin, Hai-Qing, and Ho, Kai-Ming. Magnetic Moment Enhancement for Mn7 Cluster on Graphene. United States: N. p., 2014. Web. doi:10.1021/jp504329c.
Liu, Xiaojie, Wang, Cai-Zhuang, Lin, Hai-Qing, & Ho, Kai-Ming. Magnetic Moment Enhancement for Mn7 Cluster on Graphene. United States. doi:10.1021/jp504329c.
Liu, Xiaojie, Wang, Cai-Zhuang, Lin, Hai-Qing, and Ho, Kai-Ming. Thu . "Magnetic Moment Enhancement for Mn7 Cluster on Graphene". United States. doi:10.1021/jp504329c.
@article{osti_1166714,
title = {Magnetic Moment Enhancement for Mn7 Cluster on Graphene},
author = {Liu, Xiaojie and Wang, Cai-Zhuang and Lin, Hai-Qing and Ho, Kai-Ming},
abstractNote = {Mn7 cluster on graphene with different structural motifs and magnetic orders are investigated systematically by first-principles calculations. The calculations show that Mn7 on graphene prefers a two-layer motif and exhibits a ferrimagnetic coupling. The magnetic moment of the Mn7 cluster increases from 5.0 μB at its free-standing state to about 6.0 μB upon adsorption on graphene. Mn7 cluster also induces about 0.3 μB of magnetic moment in the graphene layer, leading to an overall enhancement of 1.3 μB magnetic moment for Mn7 on graphene. Detail electron transfer and bonding analysis have been carried out to investigate the origin of the magnetic enhancement.},
doi = {10.1021/jp504329c},
journal = {Journal of Physical Chemistry. C},
number = 33,
volume = 118,
place = {United States},
year = {Thu Aug 21 00:00:00 EDT 2014},
month = {Thu Aug 21 00:00:00 EDT 2014}
}