Band energy landscapes in twisted homobilayers of transition metal dichalcogenides
Band energy landscapes in twisted homobilayers of transition metal dichalcogenides
复制标题
过渡金属二卤代化合物扭曲同质双分子膜中的能谱
DOI：
10.1063/5.0048884
复制
发表时间：
2021-06-14
影响因子：
4
通讯作者：
Fal'ko, V. I.
中科院分区：
文献类型：
--
作者：
Ferreira, F.;Magorrian, S. J.;Fal'ko, V. I.
二维材料的双涡旋组装采用相邻层间的扭转角作为调节参数来设计范德华异质结构的电子和光学特性。在这里，我们研究了MoS2、MoSe2、WS2和WSe2的双涡旋均匀层中，层间杂化、层间弱铁电电荷转移和变形的压电响应如何在云纹超级细胞上设置价带和导带边缘。我们发现，由于单层晶体中缺乏反转对称性，具有平行(P)和反平行（AP）单元胞取向的双层显示出截然不同的行为。对于小扭角的p -双分子层，我们在优先堆叠的三角形区域的中间发现了带边。在边缘扭转角（θ (AP) < 1度）的AP-双层中，能带边缘位于畴壁交点周围的小区域，具有高度局域化的量子点态。(C) 2021作者。除另有说明外，所有文章内容均遵循知识共享署名（CC BY）许可协议（http://creativecommons.org/licenses/by/4.0/）。
Twistronic assembly of 2D materials employs the twist angle between adjacent layers as a tuning parameter for designing the electronic and optical properties of van der Waals heterostructures. Here, we study how interlayer hybridization, weak ferroelectric charge transfer between layers, and a piezoelectric response to deformations set the valence and conduction band edges across the moire supercell in twistronic homobilayers of MoS2, MoSe2, WS2, and WSe2. We show that, due to the lack of inversion symmetry in the monolayer crystals, bilayers with parallel (P) and antiparallel (AP) unit cell orientations display contrasting behaviors. For P-bilayers at small twist angles, we find band edges in the middle of triangular domains of preferential stacking. In AP-bilayers at marginal twist angles (theta(AP) < 1 degrees), the band edges are located in small regions around the intersections of domain walls, giving highly localized quantum dot states. (C) 2021 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).