双层
激子
从头算
凝聚态物理
物理
材料科学
化学
膜
量子力学
生物化学
作者
J. C. G. Henriques,Bruno Amorim,R. M. Ribeiro,N. M. R. Peres
出处
期刊:Physical review
[American Physical Society]
日期:2022-03-18
卷期号:105 (11)
被引量:19
标识
DOI:10.1103/physrevb.105.115421
摘要
In this paper, we discuss the optical response due to the excitonic effect of two types of hBN bilayers: AB and ${\mathrm{AA}}^{\ensuremath{'}}$. 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 ${0}^{\ensuremath{\circ}}$ and ${60}^{\ensuremath{\circ}}$ rotation. To obtain the excitonic response, we present a method to solve a four-band Bethe-Salpeter equation by casting it into a one-dimensional problem, thus greatly reducing the numerical burden of the calculation when compared with strictly two-dimensional methods. We find results in good agreement with ab initio calculations already published in the literature for the ${\mathrm{AA}}^{\ensuremath{'}}$ 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 ${\mathrm{AA}}^{\ensuremath{'}}$ bilayer. Also, the conductivity of the AB bilayer is due to both intralayer and interlayer excitons and is dominated by $p$-states, while intralayer $s$-states are the relevant ones for the ${\mathrm{AA}}^{\ensuremath{'}}$ configuration, like in a monolayer. The effect of introducing a bias in the ${\mathrm{AA}}^{\ensuremath{'}}$ bilayer is also discussed.
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