Electric Field Effect on the Magnetic Property of Mn Adatom on Graphene: Ab-Initio Calculations

被引：1

作者：

Yun, Kyung-Han ^{[1
]}

Lee, Minho ^{[1
]}

Chung, Yong-Chae ^{[1
]}

机构：

[1] Hanyang Univ, Dept Mat Sci & Engn, Seoul 133791, South Korea

来源：

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY | 2014年 / 14卷 / 05期

基金：

新加坡国家研究基金会;

关键词：

Graphene; Spintronics; Mn; DFT; Electric Field; Magnetism; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; SPIN; TRANSPORT; MOBILITY; DEVICES; METALS;

D O I：

10.1166/jnn.2014.7872

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Changes in the magnetic property of the Mn transition metal on graphene were observed using density functional calculations (DFT) where the Mn/graphene system was enforced by an external electric field. The magnetic moment of the Mn adatom on graphene showed continuous changes as a result of the external field. Analysis of the charge redistribution of the system revealed that the electrons are partially transferred between graphene and the Mn adatom from the effect of the external electric field. According to the density of states (DOS) data, the transferred charge originates from the electrons in 3d spin down states. In this study, it was found that the external electric field affected the changes in the electronic structure of the outermost shell of the Mn adatom, and this change resulted in change in the magnetic moment.

引用

页码：3778 / 3781

页数：4

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