AA堆叠双层锯齿形石墨烯纳米带的磁态调节

Q3 Engineering
T. Prayitno
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引用次数: 2

摘要

已有的报道提到,aa堆叠双层之字形石墨烯纳米带的磁性基态是非磁性态。因此,在未来的电子设备中利用磁性是不可能的。本文旨在通过第一性原理计算,展示如何在aa堆叠双层之字形石墨烯纳米带中产生磁性。当我们堆叠不同宽度的带时,磁性基态出现在所有厚度上。一般来说,g型反铁磁态是所有厚度的基态,即平面内和平面间边缘碳原子之间的反铁磁排列。我们还发现在一定厚度下可能出现简并的磁基态和激发态,从而产生丰富的磁态。空穴电子掺杂后,在一定厚度上出现了磁性基态的相变,表明掺杂可以调谐aa双层之字形石墨烯纳米带的新磁性基态。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Tuning the magnetic states in AA-stacked bilayer zigzag graphene nanoribbons
Available reports mentioned that the magnetic ground state in the AA-stacked bilayer zigzag graphene nanoribbons is the non-magnetic state. As a consequence, it is impossible to exploit magnetism for future electronic devices. This paper aims to show how to generate magnetism in the AA-stacked bilayer zigzag graphene nanoribbons by employing ?rst-principles calculations. As we stacked different ribbon widths, the magnetic ground states appeared for all the thicknesses. In general, the G-type antiferromagnetic state, which is the antiferromagnetic alignment between both intraplane- and interplane-edge carbon atoms, is the ground state for all the thicknesses. We also found that the degenerate magnetic ground states and excited states may appear under certain thicknesses, thus yielding the richness of the magnetic state. As hole-electron doping was applied, a phase transition of magnetic ground state emerged for certain thicknesses, indicating that a new magnetic ground state in the AA-stacked bilayer zigzag graphene nanoribbons can be tuned by the doping.
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来源期刊
Communications in Science and Technology
Communications in Science and Technology Engineering-Engineering (all)
CiteScore
3.20
自引率
0.00%
发文量
13
审稿时长
24 weeks
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