Moiré superlattices arising from growth induced by screw dislocations in layered materials

Fuyu Tian, M. Faizan, Xin He, Yuanhui Sun, Lijun Zhang
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Abstract

Moiré superlattices (MSLs) are modulated structures produced from homogeneous or heterogeneous two-dimensional layers stacked with a twist angle and/or lattice mismatch. Enriching the methods for fabricating MSL and realizing the unique emergent properties are key challenges on its investigation. Here we recommend that the spiral dislocation driven growth is another optional method for the preparation of high quality MSL samples. The spiral structure stabilizes the constant out-of-plane lattice distance, causing the variations in electronic and optical properties. Taking SnS2 MSL as an example, we find prominent properties including large band gap reduction (~0.4 eV) and enhanced optical activity. First-principles calculations reveal that these unusual properties can be ascribed to the locally enhanced interlayer interaction associated with the Moiré potential modulation. We believe that the spiral dislocation driven growth would be a powerful method to expand the MSL family and broaden their scope of application.
层状材料中螺钉位错诱导生长所产生的莫伊里超晶格
莫埃里超晶格(MSL)是由同质或异质二维层以扭曲角和/或晶格错配堆叠而成的调制结构。丰富制造 MSL 的方法并实现其独特的新兴特性是研究 MSL 的关键挑战。在此,我们建议螺旋位错驱动生长是制备高质量 MSL 样品的另一种可选方法。螺旋结构稳定了恒定的面外晶格距离,从而导致了电子和光学特性的变化。以 SnS2 MSL 为例,我们发现它具有显著的特性,包括带隙减小(约 0.4 eV)和光学活性增强。第一原理计算显示,这些不寻常的特性可归因于与莫伊里电势调制相关的局部增强的层间相互作用。我们相信,螺旋位错驱动生长将是扩展 MSL 系列并扩大其应用范围的有力方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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