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Effects of long-range disorder and electronic interactions on the optical properties of graphene quantum dots

机译:远程障碍和电子相互作用对大鼠的影响   石墨烯量子点的光学性质

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摘要

We theoretically investigate the effects of long-range disorder andelectron-electron interactions on the optical properties of hexagonal armchairgraphene quantum dots consisting of up to 10806 atoms. The numericalcalculations are performed using a combination of tight-binding, mean-fieldHubbard and configuration interaction methods. Imperfections in the graphenequantum dots are modelled as a long-range random potential landscape, givingrise to electron-hole puddles. We show that, when the electron-hole puddles arepresent, tight-binding method gives a poor description of the low-energyabsorption spectra compared to meanfield and configuration interactioncalculation results. As the size of the graphene quantum dot is increased, theuniversal optical conductivity limit can be observed in the absorptionspectrum. When disorder is present, calculated absorption spectrum approachesthe experimental results for isolated monolayer of graphene sheet.
机译:我们在理论上研究了远距离无序和电子-电子相互作用对最多包含10806个原子的六角形扶手椅石墨烯量子点的光学性质的影响。数值计算是结合使用紧束缚,均场哈伯德和构型相互作用方法进行的。石墨烯量子点中的缺陷被建模为远程随机势态,从而产生电子空穴水坑。我们表明,当存在电子-空穴水坑时,与平均场和构型相互作用计算结果相比,紧密结合法对低能吸收光谱的描述很差。随着石墨烯量子点尺寸的增加,可以在吸收光谱中观察到普遍的光导率极限。当存在无序时,计算出的吸收光谱接近石墨烯片的分离单层的实验结果。

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