氮掺杂石墨烯的铁磁行为:对潜在机制的见解

IF 2.6 3区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY
Mingxing Zhao , Jiafei Yao , Jie Wu , Huazhong Liu , Yixuan Chen , Wei Tan , Honngob Du
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引用次数: 0

摘要

对石墨烯中氮掺杂的磁性机制进行了理论研究。我们的研究表明,氮掺杂石墨烯中磁性的主要来源是单个氮原子的稳定吸附。这些氮原子在碳碳键上以桥结构吸附时,打破了石墨烯晶格的原始对称性,改变了电子云分布并诱导了局部自旋极化。相比之下,取代掺杂不会引起对称破缺或显著影响电子云,导致磁矩为零。在低掺杂浓度下,氮原子间距很大,阻止了它们之间的相互作用。在这种情况下,氮原子的自旋是随机定向的,导致顺磁性。然而,随着氮浓度的增加和被吸附氮原子之间距离的减小,耦合相互作用出现,导致氮原子的自旋向同一方向排列。当掺杂浓度超过临界阈值时,材料表现出铁磁性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Ferromagnetic behavior in nitrogen-doped graphene: Insights into the underlying mechanisms
A theoretical investigation was conducted to explore the magnetic mechanisms induced by nitrogen doping in graphene. Our investigation indicates that the primary source of magnetism in nitrogen-doped graphene is the stable adsorption of single nitrogen atoms. These nitrogen atoms, when adsorbed in a bridge configuration on carbon-carbon bonds, break the original symmetry of the graphene lattice, altering the electron cloud distribution and inducing local spin polarization. In contrast, substitutional doping does not cause symmetry breaking or significantly affect the electron cloud, resulting in a zero magnetic moment. At low doping concentrations, nitrogen atoms are widely spaced, preventing interactions between them. In this case, the spins of the nitrogen atoms are randomly oriented, leading to paramagnetism. However, as the nitrogen concentration increases and the distance between adsorbed nitrogen atoms decreases, coupling interactions emerge, causing the spins of the nitrogen atoms to align in the same direction. When the doping concentration exceeds a critical threshold, the material exhibits ferromagnetism.
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来源期刊
Physics Letters A
Physics Letters A 物理-物理:综合
CiteScore
5.10
自引率
3.80%
发文量
493
审稿时长
30 days
期刊介绍: Physics Letters A offers an exciting publication outlet for novel and frontier physics. It encourages the submission of new research on: condensed matter physics, theoretical physics, nonlinear science, statistical physics, mathematical and computational physics, general and cross-disciplinary physics (including foundations), atomic, molecular and cluster physics, plasma and fluid physics, optical physics, biological physics and nanoscience. No articles on High Energy and Nuclear Physics are published in Physics Letters A. The journal''s high standard and wide dissemination ensures a broad readership amongst the physics community. Rapid publication times and flexible length restrictions give Physics Letters A the edge over other journals in the field.
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