Modulating magnetism of nitrogen-doped zigzag graphene nanoribbons

Doping of graphene nanoribbons with various chemical elements leads to a change in their band structure, which significantly expands the range of applications of these objects in modern electronic devices. In this work, the authors investigate graphene nanoribbons of the «armchair» and «zigzag» types with different concentrations of pyrrole-like nitrogen at the edges. The SCC-DFTB method was used to establish the most energetically favorable configurations of pyrrole-like nitrogen at each edge of graphene nanoribbons. The relationship between the energy gaps of graphene nanoribbons and the content of the considered functional nitrogen-containing groups in them was determined. Calculations have shown that, by incorporating into the atomic lattice, pyrrole-like nitrogen at the «zigzag» edge transfers a greater amount of charge to nearby carbon atoms, which makes such nanoribbons more chemically active in comparison with «armchair» type nanoribbons. Nitrogen doped «zigzag» graphene nanoribbons may be a promising chemoresistive element of nanosensors; however, these conclusions require further calculations.

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Spin Gapless Semiconductor−Metal−Half-Metal Properties in Nitrogen-Doped Zigzag Graphene Nanoribbons

ACS Nano ◽

10.1021/nn9003428 ◽

2009 ◽

Vol 3 (7) ◽

pp. 1952-1958 ◽

Cited By ~ 419

Author(s):

Yafei Li ◽

Zhen Zhou ◽

Panwen Shen ◽

Zhongfang Chen

Keyword(s):

Graphene Nanoribbons ◽

Nitrogen Doped ◽

Half Metal ◽

Metal Properties ◽

Zigzag Graphene Nanoribbons

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First-principle investigations for electronic transport in nitrogen-doped disconnected zigzag graphene nanoribbons

Microelectronic Engineering ◽

10.1016/j.mee.2018.07.015 ◽

2018 ◽

Vol 199 ◽

pp. 96-100 ◽

Cited By ~ 2

Author(s):

Kamal K. Jha ◽

Neeraj K. Jaiswal ◽

Manisha Pattanaik ◽

Pankaj Srivastava

Keyword(s):

Electronic Transport ◽

Graphene Nanoribbons ◽

First Principle ◽

Nitrogen Doped ◽

Zigzag Graphene Nanoribbons

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Topological Surface State in Epitaxial Zigzag Graphene Nanoribbons

Nano Letters ◽

10.1021/acs.nanolett.0c05013 ◽

2021 ◽

Vol 21 (7) ◽

pp. 2876-2882

Author(s):

Thi Thuy Nhung Nguyen ◽

Niels de Vries ◽

Hrag Karakachian ◽

Markus Gruschwitz ◽

Johannes Aprojanz ◽

...

Keyword(s):

Surface State ◽

Graphene Nanoribbons ◽

Topological Surface ◽

Topological Surface State ◽

Zigzag Graphene Nanoribbons

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First-principles study of carrier-induced ferromagnetism in bilayer and multilayer zigzag graphene nanoribbons

Applied Physics Letters ◽

10.1063/1.4870766 ◽

2014 ◽

Vol 104 (14) ◽

pp. 143111 ◽

Cited By ~ 8

Author(s):

Keisuke Sawada ◽

Fumiyuki Ishii ◽

Mineo Saito

Keyword(s):

First Principles ◽

Graphene Nanoribbons ◽

First Principles Study ◽

Zigzag Graphene Nanoribbons

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Spin current distribution in antiferromagnetic zigzag graphene nanoribbons under transverse electric fields

Scientific Reports ◽

10.1038/s41598-021-96636-6 ◽

2021 ◽

Vol 11 (1) ◽

Author(s):

Jie Zhang ◽

Eric P. Fahrenthold

Keyword(s):

Electric Fields ◽

Transverse Electric ◽

Graphene Nanoribbons ◽

Spin Current ◽

Differential Resistance ◽

Current Control ◽

Field Analysis ◽

Current Transmission ◽

Transverse Electric Fields ◽

Zigzag Graphene Nanoribbons

AbstractThe spin current transmission properties of narrow zigzag graphene nanoribbons (zGNRs) have been the focus of much computational research, investigating the potential application of zGNRs in spintronic devices. Doping, fuctionalization, edge modification, and external electric fields have been studied as methods for spin current control, and the performance of zGNRs initialized in both ferromagnetic and antiferromagnetic spin states has been modeled. Recent work has shown that precise fabrication of narrow zGNRs is possible, and has addressed long debated questions on their magnetic order and stability. This work has revived interest in the application of antiferromagnetic zGNR configurations in spintronics. A general ab initio analysis of narrow antiferromagnetic zGNR performance under a combination of bias voltage and transverse electric field loading shows that their current transmission characteristics differ sharply from those of their ferromagnetic counterparts. At relatively modest field strengths, both majority and minority spin currents react strongly to the applied field. Analysis of band gaps and current transmission pathways explains the presence of negative differential resistance effects and the development of spatially periodic electron transport structures in these nanoribbons.

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