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arXiv 1504.01347cond-mat.mes-hall
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无公度扭曲少层石墨烯的电子能带结构和吸收光谱

The electronic band structures and optical absorption spectra for incommensurate twisted few-layers graphene

D. Ghader, A. Khater, D. Szczȩśniak

摘要:

建立了一个计算任意结构的扭曲无公度多层石墨烯(tLFG)系统的电子能带结构和光学吸收谱的理论模型.这是使用集成的虚拟晶体近似和紧束缚(VCA-TB)的方法,其中的VCA是通过一个数学平均形式主义开发的准无限合奏层间键配置。结果表明,N层石墨烯的无公度tLFG系统的低能电子能带结构由以石墨烯布里渊区K点为中心的N个相互重叠的狄拉克锥构成.这产生了这些tFLG系统的价带和导带的鞍点之间的有效间隙,其可以用不相称的扭转角来调节。还计算了这些系统的光吸收光谱,特别是,它们显示出清晰的光谱峰,对应于可访问的电子跃迁之间的价带和导带的间隙。光吸收结果突出了这些不相称的tFLG系统在石墨烯基串联电池中的应用潜力。

英文摘要:

A theoretical model is presented to compute the electronic band structures and optical absorption spectra for twisted incommensurate few-layers graphene (tLFG) systems of arbitrary architecture. This is accomplished using an integrated virtual crystal approximation and tight-binding (VCA-TB) method, where the VCA is achieved by a mathematical averaging formalism developed over the quasi-infinite ensemble of interlayer bond configurations. The results show that the low-energy electronic band structures of the incommensurate tLFG systems of N graphene layers are formed of N overlapping Dirac cones centered on the K-points of the Brillouin zones of the graphene layers. This yields effective gaps between the saddle points of the valence and conduction bands of these tFLG systems, that are tunable with the incommensurate twist angles. The optical absorption spectra are also calculated for these systems; in particular, they display clear spectral peaks which correspond to the accessible electronic transitions across the gaps between the valence and conduction bands. The optical absorption results highlight the potential of these incommensurate tFLG systems for applications in graphene based tandem cells.

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