Electronic and magnetic properties of zigzag α-graphyne nanoribbons with edge fluorine modification

Dan Zhang,Jin Xiao,Yezhan Zeng, Yanqin Xia,Mengqiu Long,Liling Cui

Journal of Magnetism and Magnetic Materials（2020）

引用 10|浏览10

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摘要

•The edge F modification is more stable than that of H and O atoms in ZaGYNRs.•The electronic structure has a relationship with edge fluorinated manners of ZaGYNRs.•F2-ZaGYNRs-F has 1μB magnetic moment in the ground state FM.•F2-ZaGYNRs-F shows bipolar magnetic semiconductor property.

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关键词

Zigzag α-graphyne nanoribbons,Edge modification,The first principles calculations,Magnetic properties,Electronic structures

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