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

来源：

PHYSICAL REVIEW B | 2008年 / 78卷 / 20期

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.

引用

页数：5

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