物理学报2012，Vol.61Issue(4)：391-395,5.
金掺杂锯齿型石墨烯纳米带的电磁学特性研究
Research of electronic and magnetic properties on gold doped zigzag graphene nanoribbons
摘要
Abstract
Using first principle based on the density functional theory,we have studied the the electronic and magnetic properties of zigzag graphene nanoribbons（ZGNRs） doped by gold atoms in divacancy.Our calculations show that edge site is the most stable doping site for gold atom,and the magnetism of ZGNRs is inhibited by the introduction of impurities.However,in the case of large enough doping ratio,the magnetic moment of doped edge restores anomalously.The band structure characteristic of gold doped ZGNRs is sensitive to doping ratio.As the doping ratio increases,Au doped ZGNRs show semiconducting,half-metallic and metallic properties,respectively. Our calculations prove that gold atoms doped ZGNRs could modulate the magnetic and band structure character,guiding the follow-up experiments,and promoting the application of graphene in spintronics.关键词
锯齿型石墨烯纳米带/金原子/掺杂/半金属Key words
zigzag graphene nanoribbon/gold atom/doping/half-metal分类
数理科学引用本文复制引用
胡小会,许俊敏,孙立涛..金掺杂锯齿型石墨烯纳米带的电磁学特性研究[J].物理学报,2012,61(4):391-395,5.基金项目
国家重点基础研究发展计划（973项目） （）
国家自然科学基金 （）
教育部新世纪优秀人才支持计划 （）
博士点基金（批准号：201000921 10014）资助的课题 （）
