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Electronic structure, magnetism, and high-temperature superconductivity in multilayer octagraphene and octagraphite
Physical Review B ( IF 3.2 ) Pub Date : 2020-11-23 , DOI: 10.1103/physrevb.102.174509
Jun Li , Shangjian Jin , Fan Yang , Dao-Xin Yao

We systematically investigate the electronic structure, magnetism, and high-temperature superconductivity (SC) in multilayer octagraphene and octagraphite (bulk octagraphene). A tight-binding model is used to fit the electronic structures of single-layer and multilayer octagraphenes and octagraphite. We find that multilayer octagraphene and octagraphite follow a simple A-A stacking structure from the energy analysis. The van der Waals interaction induces t0.25 eV and the hopping integral within each layer changes little when the layer number n increases. There is a well Fermi-surface nesting with nesting vector Q=(π,π) for single-layer octagraphene at half-filling, which can induce a two-dimensional Néel antiferromagnetic order. With increasing layer number n, the Fermi-surface nesting transforms to three-dimensional (3D) with nesting vector Q=(π,π,π) and shows that the system has a 3D Néel antiferromagnetic order. Upon doping, multilayer octagraphene and octagraphite can enter a high-temperature s± SC driven by spin fluctuation. We evaluate the superconducting transition temperature Tc by using the random-phase approximation, which yields a high Tc even if the layer number n3. Our study shows that multilayer octagraphene and octagraphite are promising candidates for realizing high-temperature SC.

中文翻译:

多层八方石墨烯和八方石墨的电子结构,磁性和高温超导性

我们系统地研究了多层八方石墨烯和八方石墨烯(体八方石墨烯)中的电子结构,磁性和高温超导性(SC)。紧密结合模型用于拟合单层和多层八碳烯和八碳石的电子结构。我们从能量分析中发现,多层八碳烯和八碳石遵循简单的AA堆叠结构。范德华相互作用引起Ť0.25 当层数增加时,每层的eV和跳跃积分变化不大 ñ增加。有一个带有嵌套向量的费米曲面嵌套=ππ单层八碳烯在半填充时会产生二维Néel反铁磁序。随着层数的增加ñ,费米曲面嵌套使用嵌套矢量转换为三维(3D) =πππ并显示该系统具有3DNéel反铁磁顺序。掺杂后,多层八碳烯和八碳石会进入高温s±SC由自旋波动驱动。我们评估超导转变温度ŤC 通过使用随机相位近似,可以得到很高的 ŤC 即使层号 ñ3。我们的研究表明,多层八碳烯和八碳石是实现高温SC的有希望的候选物。
更新日期:2020-11-23
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