A magnetic ground state is revealed for the first time in zigzag-edged carbon nanoscrolls(ZCNSs)from spin-unrestricted density functional theory calculations.Unlike their flat counterpart-zigzag-edged carbon nanoribbons,which are semiconductors with spin-degenerate electronic structure-ZCNSs show a variety of magnetic configurations,namely spin-selective semiconductors,metals,semimetals,quasi-half-metals,and half-metals.To the best of our knowledge,this is the first discovery of quasi-half-metals and half-metals in a pure hydrocarbon without resort to an external electric field.In addition,we calculated the spin-dependent transportation of the semiconducting ZCNSs with 12 and 20 zigzag chains,and found that they are 13% and 17% at the Fermi level,respectively,suggesting that ZCNS can be an effective spin filter.
Lin LaiJing LuLu WangGuangfu LuoJing ZhouRui QinYu ChenHong LiZhengxiang GaoGuangping LiWai Ning MeiYutaka MaedaTakeshi Akasakaand Stefano Sanvito
