Gapped ferromagnetic graphene nanoribbons
Gapped ferromagnetic graphene nanoribbons
复制标题
有隙铁磁石墨烯纳米带
DOI：
10.1039/c0cp02713h
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发表时间：
2011-01-01
影响因子：
3.3
通讯作者：
Xie, Shijie
中科院分区：
文献类型：
--
作者：
Hou, Dong;Wei, Jianhua;Xie, Shijie
我们通过用有机磁体终止锯齿形石墨烯纳米带（ZGNR），从理论上设计了一种基于石墨烯的全有机铁磁半导体。获得了在费米能附近具有100%自旋极化态密度的大自旋分裂能隙，这在自旋晶体管中具有潜在的应用。使用包括非共线自旋方向的第一性原理计算来研究电子、自旋和晶格自由度之间的相互作用。所有计算一致表明，尽管不存在 d 电子，但反铁磁 pi-pi 交换以及有机磁体和 ZGNR 之间的强电子晶格相互作用使基态铁磁性。
We theoretically design a graphene-based all-organic ferromagnetic semiconductor by terminating zigzag graphene nanoribbons (ZGNRs) with organic magnets. A large spin-split gap with a 100% spin polarized density of states near the Fermi energy is obtained, which is of potential application in spin transistors. The interactions among electron, spin and lattice degrees of freedom are studied using the first-principles calculations including non-collinear spin orientations. All of the calculations consistently demonstrate that although no d electrons existing, the antiferromagnetic pi-pi exchange together with the strong electron-lattice interactions between organic magnets and ZGNRs make the ground state ferromagnetic.