Transport properties of zigzag graphene nanoribbons adsorbed with single iron atom  

作　　者：杨玉娥 肖杨 颜晓红 戴昌杰 

机构地区：[1]Department of Applied Physics, Nanjing University of Aeronautics and Astronautics

出　　处：《Chinese Physics B》2015年第11期428-433,共6页中国物理B（英文版）

基　　金：supported by the National Natural Science Foundation of China(Grant Nos.11374162 and 51032002);the Key Project of the National High Technology Research and Development Program of China(Grant No.2011AA050526)

摘　　要：We have performed density-functional calculations of the transport properties of the zigzag graphene nanoribbon （ZGNR） adsorbed with a single iron atom. Two adsorption configurations are considered, i.e., iron adsorbed on the edge and on the interior of the nanoribbon. The results show that the transport features of the two configurations are similar. However, the transport properties are modified due to the scattering effects induced by coupling of the ZGNR band states to the localized 3d-orbital state of the iron atom. More importantly, one can find that several dips appear in the transmission curve, which is closely related to the above mentioned coupling. We expect that our results will have potential applications in graphene-based spintronic devices,We have performed density-functional calculations of the transport properties of the zigzag graphene nanoribbon （ZGNR） adsorbed with a single iron atom. Two adsorption configurations are considered, i.e., iron adsorbed on the edge and on the interior of the nanoribbon. The results show that the transport features of the two configurations are similar. However, the transport properties are modified due to the scattering effects induced by coupling of the ZGNR band states to the localized 3d-orbital state of the iron atom. More importantly, one can find that several dips appear in the transmission curve, which is closely related to the above mentioned coupling. We expect that our results will have potential applications in graphene-based spintronic devices,

关 键 词：graphene nanoribbon transport properties iron adatom 

分 类 号：O613.71[理学—无机化学] TB383.1[理学—化学]