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Sensory-organ-like response determines the magnetism of zigzag-edged honeycomb nanoribbons

机译:感觉器官样反应决定了曲折边缘蜂窝纳米带的磁性

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摘要

We present an analytical effective theory for the magnetic phase diagram for zigzag-edge terminated honeycomb nanoribbons described by a Hubbard model with an interaction parameter U. We show that the edge magnetic moment varies as ln U and uncover its dependence on the width W of the ribbon. The physics of this owes its origin to the sensory-organ-like response of the nanoribbons, demonstrating that considerations beyond the usual Stoner-Landau theory are necessary to understand the magnetism of these systems. A first-order magnetic transition from an antiparallel orientation of the moments on opposite edges to a parallel orientation occurs upon doping with holes or electrons. The critical doping for this transition is shown to depend inversely on the width of the ribbon. Using variational Monte Carlo calculations, we show that magnetism is robust to fluctuations. Additionally, we show that the magnetic phase diagram is generic to zigzag-edge terminated nanostructures such as nanodots. Furthermore, we perform first-principles modeling to show how such magnetic transitions can be realized in substituted graphene nanoribbons. DOI: 10.1103/PhysRevB.87.085412
机译:我们提出了一种有效的解析理论,用于用交互作用参数U的Hubbard模型描述的锯齿形边缘封端的蜂窝状纳米带的磁相图。带。物理学的起源归功于纳米带的类似感官器官的响应,这表明,要理解这些系统的磁性,除了通常的斯托纳-朗道理论之外,还需要考虑其他因素。当掺杂空穴或电子时,会发生从相对边缘上的矩的反平行取向到平行取向的一阶磁性跃迁。该过渡的关键掺杂被显示为与带的宽度成反比。使用变分蒙特卡洛计算,我们证明了磁场对波动具有鲁棒性。此外,我们显示出磁相图对于锯齿状边缘终止的纳米结构(例如纳米点)是通用的。此外,我们执行第一性原理建模以显示如何在取代的石墨烯纳米带中实现这种磁性跃迁。 DOI:10.1103 / PhysRevB.87.085412

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