Half metallicity along the edge of zigzag boron nitride nanoribbons

被引:240
作者
Zheng, Fawei [1 ,2 ]
Zhou, Gang [1 ,2 ]
Liu, Zhirong [3 ]
Wu, Jian [1 ,2 ]
Duan, Wenhui [1 ,2 ]
Gu, Bing-Lin [1 ,2 ]
Zhang, S. B. [4 ]
机构
[1] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China
[2] Tsinghua Univ, Ctr Adv Study, Beijing 100084, Peoples R China
[3] Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China
[4] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA
基金
中国国家自然科学基金;
关键词
D O I
10.1103/PhysRevB.78.205415
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
First-principles calculations within the local spin-density approximation reveal half metallicity in zigzag boron nitride nanoribbons (ZBNNRs). When the B edge, but not the N edge, of the ZBNNR is passivated, despite being a pure sp-electron system, the ribbon shows a giant spin splitting. The electrons at the Fermi level are 100% spin polarized with a half-metal gap of 0.38 eV and its conductivity is dominated by metallic single-spin states. The two states crossing at the Dirac point have different molecular origins, which signal a switch of carrier velocity. The ZBNNR should be a good potential candidate for wide gap spintronics.
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页数:5
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