Modulating magnetism of nitrogen-doped zigzag graphene nanoribbons

doi:10.1088/1674-1056/23/6/067305

中国物理B ›› 2014, Vol. 23 ›› Issue (6): 67305-067305.doi: 10.1088/1674-1056/23/6/067305

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇下一篇

Modulating magnetism of nitrogen-doped zigzag graphene nanoribbons

赵尚骞^a, 吕燕^a, 吕文刚^a, 梁文杰^a, 王恩哥^b

a Institute of Physics, Chinese Academy of Sciences and Beijing National Laboratory for Condensed Matter Physics, Beijing 100190, China;
b International Center for Quantum Materials, School of Physics, Peking University, Beijing 100871, China

收稿日期:2013-12-23 修回日期:2014-03-10 出版日期:2014-06-15 发布日期:2014-06-15
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 10834012 and 11374342), National Key Basic Research and Development Program of China (Grant No. 2009CB930700), and the Knowledge Innovation Foundation of the Chinese Academy of Sciences (Grant No. KJCX2-YW-W35).

Modulating magnetism of nitrogen-doped zigzag graphene nanoribbons

Zhao Shang-Qian (赵尚骞)^a, Lü Yan (吕燕)^a, Lü Wen-Gang (吕文刚)^a, Liang Wen-Jie (梁文杰)^a, Wang En-Ge (王恩哥)^b

a Institute of Physics, Chinese Academy of Sciences and Beijing National Laboratory for Condensed Matter Physics, Beijing 100190, China;
b International Center for Quantum Materials, School of Physics, Peking University, Beijing 100871, China

Received:2013-12-23 Revised:2014-03-10 Online:2014-06-15 Published:2014-06-15
Contact: Lü Wen-Gang E-mail:wglu@iphy.ac.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 10834012 and 11374342), National Key Basic Research and Development Program of China (Grant No. 2009CB930700), and the Knowledge Innovation Foundation of the Chinese Academy of Sciences (Grant No. KJCX2-YW-W35).

摘要/Abstract

摘要： We present a study of electronic properties of zigzag graphene nanoribbons (ZGNRs) substitutionally doped with nitrogen atoms at a single edge by first principle calculations. We find that the two edge states near the Fermi level separate due to the asymmetric nitrogen-doping. The ground states of these systems become ferromagnetic because the local magnetic moments along the undoped edges remain and those along the doped edges are suppressed. By controlling the charge-doping level, the magnetic moments of the whole ribbons are modulated. Proper charge doping leads to interesting half-metallic and single-edge conducting ribbons which would be helpful for designing graphene-nanoribbon-based spintronic devices in the future.

关键词: graphene nanoribbons, charge doping, spin-polarization, spatial localization

Abstract: We present a study of electronic properties of zigzag graphene nanoribbons (ZGNRs) substitutionally doped with nitrogen atoms at a single edge by first principle calculations. We find that the two edge states near the Fermi level separate due to the asymmetric nitrogen-doping. The ground states of these systems become ferromagnetic because the local magnetic moments along the undoped edges remain and those along the doped edges are suppressed. By controlling the charge-doping level, the magnetic moments of the whole ribbons are modulated. Proper charge doping leads to interesting half-metallic and single-edge conducting ribbons which would be helpful for designing graphene-nanoribbon-based spintronic devices in the future.

Key words: graphene nanoribbons, charge doping, spin-polarization, spatial localization

中图分类号: (Electronic structure of graphene)

73.22.Pr

75.75.-c (Magnetic properties of nanostructures) 71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)

赵尚骞, 吕燕, 吕文刚, 梁文杰, 王恩哥. Modulating magnetism of nitrogen-doped zigzag graphene nanoribbons[J]. 中国物理B, 2014, 23(6): 67305-067305.

Zhao Shang-Qian (赵尚骞), Lü Yan (吕燕), Lü Wen-Gang (吕文刚), Liang Wen-Jie (梁文杰), Wang En-Ge (王恩哥). Modulating magnetism of nitrogen-doped zigzag graphene nanoribbons[J]. Chin. Phys. B, 2014, 23(6): 67305-067305.

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Modulating magnetism of nitrogen-doped zigzag graphene nanoribbons

Modulating magnetism of nitrogen-doped zigzag graphene nanoribbons

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