arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2005.13879cond-mat.mes-hall
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扭转双层MoS $_2$的带隙调谐

Tuning band gaps in twisted bilayer MoS$_2$

Yipei Zhang, Zhen Zhan, Francisco Guinea, Jose Angel Silva-Guillen, Shengjun Yuan

摘要:

在扭曲双层结构的新兴世界中,可能的配置是无限的,这使得电子特性的丰富景观成为可能。本文采用精确的紧束缚模型,研究了扭曲双层过渡金属二硫属化合物(TMDC)的性质。我们构建了具有不同角度的结构,并发现当扭转角足够小(约7.3 $^{\circ}$)时,出现所谓的平带。有趣的是,当弛豫样品中的扭转角从21.8 $^{\circ}$变化到0.8 $^{\circ}$时,带隙可以被调谐到2.2%(51 meV)。此外,当观察局部态密度时,我们发现由于不同位置处的层之间的耦合的变化,带隙沿着莫尔图案局部变化。最后,我们还发现,当施加足够强的电场时,系统可以经历从半导体到金属的转变。本文的研究对基于TMDC的光电子器件的工程化具有一定的指导意义。

英文摘要:

In the emerging world of twisted bilayer structures, the possible configurations are limitless, which enables for a rich landscape of electronic properties. In this paper, we focus on twisted bilayer transition metal dichalcogenides (TMDCs) and study its properties by means of an accurate tight-binding model. We build structures with different angles and find that the so-called flatbands emerge when the twist angle is sufficiently small (around 7.3$^{\circ}$). Interestingly, the band gap can be tuned up to a 2.2\% (51 meV) when the twist angle in the relaxed sample varies from 21.8$^{\circ}$ to 0.8$^{\circ}$. Furthermore, when looking at local density of states we find that the band gap varies locally along the moirè pattern due to the change in the coupling between layers at different sites. Finally, we also find that the system can suffer a transition from a semiconductor to a metal when a sufficiently strong electric field is applied. Our study can serve as a guide for the practical engineering of the TMDCs based optoelectronic devices.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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