锰掺杂锯齿型石墨烯纳米带电磁学特性研究  

Study on Electronic and Magnetic Properties of the Mn-doped Zigzag Graphene Nanoribbons

作　　者：王晓伟[1] 胡慧芳[2] 

机构地区：[1]太原工业学院理学系,太原030008 [2]湖南大学物理与微电子科学学院,长沙410082

出　　处：《材料导报》2014年第24期18-21,共4页Materials Reports

基　　金：国家重点基础研究发展计划(2011CB932700)

摘　　要：基于密度泛函理论的第一性原理,计算了锰原子单空位掺杂锯齿型石墨烯纳米带6种不同位置时的电磁学特性。结果表明:锰原子掺杂石墨烯纳米带的能带结构对掺杂位置十分敏感。随着锰掺杂位置的变化,掺杂石墨烯纳米带分别表现出半导体性和金属性特征。锰原子掺杂石墨烯纳米带改变了原本的磁性特征,掺杂位置不同,结构磁性特点也不相同,掺杂位置在4号位置时,纳米带实现了由反铁磁态的锯齿型石墨烯纳米带向铁磁性的转化。锰原子掺杂锯齿型石墨烯纳米带可以调制其磁性和能带特性,为石墨烯纳米带在电磁学领域应用提供一定的理论依据。By using first principal based on density-functional theory,electronic properties and magnetic properties of zigzag graphene nanoribbons doped by Mn atom were investigated.The calculation demonstrate that the band structure of doped graphene nanoribbons is very sensitive to changes of manganese doping location.Mn-doped graphene nanoribbons,show semiconducting and metallic characteristics,respectively,with varying doping locations.Also the magnetic properties of ZGNR change.As the doping position is the 4 th position,Mn-doped ZGNR show ferromagnetism.The results have provided a theoretical basis for the application of graphene nanoribbons in electromagnetic field.

关 键 词：锯齿型石墨烯纳米带 锰原子 掺杂 

分 类 号：O539[理学—等离子体物理]