磁性
空位缺陷
凝聚态物理
石墨烯
反铁磁性
铁磁性
磁矩
材料科学
化学吸附
六方晶系
Atom(片上系统)
物理
纳米技术
结晶学
化学
催化作用
计算机科学
生物化学
嵌入式系统
作者
Oleg V. Yazyev,Lothar Helm
出处
期刊:Physical Review B
[American Physical Society]
日期:2007-03-08
卷期号:75 (12)
被引量:1358
标识
DOI:10.1103/physrevb.75.125408
摘要
We study from first principles the magnetism in graphene induced by single carbon atom defects. For two types of defects considered in our study, the hydrogen chemisorption defect and the vacancy defect, the itinerant magnetism due to the defect-induced extended states has been observed. Calculated magnetic moments are equal to $1{\ensuremath{\mu}}_{B}$ per hydrogen chemisorption defect and $1.12--1.53{\ensuremath{\mu}}_{B}$ per vacancy defect depending on the defect concentration. The coupling between the magnetic moments is either ferromagnetic or antiferromagnetic, depending on whether the defects correspond to the same or to different hexagonal sublattices of the graphene lattice, respectively. The relevance of itinerant magnetism in graphene to the high-${T}_{C}$ magnetic ordering is discussed.
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