论文标题

多层环烯和环岩中的电子结构,磁性和高温超导性

Electronic structure, magnetism and high-temperature superconductivity in the multi-layer octagraphene and octagraphite

论文作者

Li, Jun, Jin, Shangjian, Yang, Fan, Yao, Dao-Xin

论文摘要

我们系统地研究了多层胞封烯和环磷脂(大量胞章)中的电子结构,磁性和高温超导性(SC)。紧密的结合模型用于拟合单层,多层环植物和环属仪的电子结构。我们发现,多层胞封烯和环磷脂遵循能量分析的简单A-A堆叠结构。 Van der waals交互诱导$ t _ {\ perp} \ oft0.25 $ eV,当层号$ n $增加时,每层中的跳跃积分很小。在半填充时,有一个带有嵌套向量$ \ mathbf {q} =(π,π)$的Fermi-surface嵌套$ \ Mathbf {q} =(π,π)$,可以诱导2Dnéel抗fiferromagnetic顺序。随着增加层编号$ n \ rightarrow \ infty $,Fermi-Surface嵌套将转换为3D,嵌套向量$ \ Mathbf {q} =(π,π,π,π)$,并显示系统具有3DNéelAntefermagneticOrder。掺杂后,多层环封烯和胞量可以进入由自旋波动驱动的高温$ s^{\ pm} $ sc。我们通过使用随机相近似(RPA)评估超导转换温度$ t_c $,即使该层数$ n \ geq $ 3,它也会产生高$ t_c $。我们的研究表明,多层额叶和八叶量是实现高态度SC的有希望的候选人。

We systematically investigate the electronic structure, magnetism and high-temperature superconductivity (SC) in the multi-layer octagraphene and octagraphite (bulk octagraphene). A tight binding model is used to fit the electronic structures of single-layer, multi-layer octagraphenes and octagraphite. We find that the multi-layer octagraphene and octagraphite follow a simple A-A stacking structure from the energy analysis. The van der Waals interaction induces $t_{\perp}\approx0.25$ eV and the hopping integrals within each layers changes little when the layer number $n$ increases. There is a well Fermi-surface nesting with nesting vector $\mathbf{Q}=(π,π)$ for the single-layer octagraphene at half-filling, which can induce a 2D Néel antiferromagnetic order. With increasing the layer number $n\rightarrow\infty$, the Fermi-surface nesting transforms to 3D with nesting vector $\mathbf{Q}=(π,π,π)$ and shows the system has a 3D Néel antiferromagnetic order. Upon doping, the multi-layer octagraphene and octagraphite can enter a high-temperature $s^{\pm}$ SC driven by spin fluctuation. We evaluate the superconducting transition temperature $T_c$ by using the random-phase approximation (RPA), which yields a high $T_c$ even if the layer number $n\geq$ 3. Our study shows that the multi-layer octagraphene and octagraphite are promising candidates for realizing the high-temperature SC.

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