论文标题

HBN双层扭曲的两个限制及其激子响应

Two limit cases of twisted hBN bilayers and their excitonic response

论文作者

Henriques, J. C. G., Amorim, B., Ribeiro, R. M., Peres, N. M. R.

论文摘要

在本文中,我们讨论了两种类型的HBN双层的激发效应:AB和AA'。了解这些双层的特性对于以任意角度研究扭曲双层的研究非常有用,因为这两种构型对应于0和60度旋转的极限情况。为了获得激子响应,我们提出了一种方法来解决一个四体浆盐方程,通过将其施放到1D问题中,从而大大减少了计算的数值负担,而与严格的2D方法相比。我们发现,与AA'BiLayer文献中已经发表的AB始于从头算的计算非常吻合,并预测了AB BiLayer的激子电导率,而AB BiLayer仍然很大程度上没有研究。这两种类型的双层电导率的主要区别在于,在AB构型中,两个较大的较大较大的谐振出现了一个小但良好的共振。这种共鸣是由于主要是层中激子,在AA'BiLayer中不存在。同样,AB双层的电导率是由于内层和层间激子引起的,并且由P型统治,而内层状态是AA''''''''''''''''''''''''''''''''''''''的相关状态(如单层中)。还讨论了在AA的双层中引入偏见的效果。

In this paper we discuss the optical response due to the excitonic effect of two types of hBN bilayers: AB and AA'. Understanding the properties of these bilayers is of great utility to the study of twisted bilayers at arbitrary angles, since these two configurations correspond to the limit cases of 0 and 60 degree rotation. To obtain the excitonic response we present a method to solve a four-band Bethe-Salpeter equation, by casting it into a 1D problem, thus greatly reducing the numerical burden of the calculation when compared with strictly 2D methods. We find results in good agreement with ab initio calculations already published in the literature for the AA' bilayer, and predict the excitonic conductivity of the AB bilayer, which remains largely unstudied. The main difference in the conductivity of these two types of bilayers is the appearance of a small, yet well resolved, resonance between two larger ones in the AB configuration. This resonance is due to a mainly interlayer exciton, and is absent in the AA' bilayer. Also, the conductivity of the AB bilayer is due to both intralayer and interlayer excitons and is dominated by p-states, while intralayer states are the relevant ones for the AA' configuration, like in a monolayer. The effect of introducing a bias in the AA' bilayer is also discussed.

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