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Scaling Law of Exciton Properties in the Surface Hydrogenated Armchair Graphene Nanoribbon

机译:表面氢化扶手椅石墨烯纳米替本的激子特性的缩放定律

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The scaling law of exciton effect in the surface hydrogenated graphene nanoribbon with armchair edge (H-AGNRs) is studied by first principle density function theory (DFT) with quasi-particle corrections and many-body, i. e. electron-hole interactions. Realizing the failure of the traditional family effect in the pristine AGNRs, we introduce an effective width model, which can systematically describe the electronic structures of H-AGNRs by three catalogues. In the model, the relationship between the effective widths and the effective family index can well line up at the ground states of H-AGNRs. We also scale the exciton binding energies with effective width of H-AGNRs. This work provides more general understanding for the surface modification on the electronic properties in ultra-narrow AGNRs and discloses a more universal family effect in the AGNRs systems.
机译:通过第一原理密度函数理论(DFT)研究了表面氢化石墨烯纳米替宾的缩放定律,并通过准粒子校正和多体。 e。 电子孔相互作用。 意识到传统家庭效应在原始AGNR中的失败,我们引入了一个有效的宽度模型,该模型可以通过三个目录系统地描述H-AGNR的电子结构。 在模型中,有效宽度与有效家庭指数之间的关系可以很好地排在H-AGNR的基础状态。 我们还以H-AGNR的有效宽度缩放激子结合能。 这项工作为超纳罗AGNR中电子特性的表面修饰提供了更一般的了解,并在AGNRS系统中揭示了更普遍的家庭效应。

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