2021/03/31 by Fábio Ferreira, F. Ferreira, Samuel Magorrian +7 · 33 citations
Chemistry · Engineering · Materials Science · Physics and Astronomy · #2D Materials and Applications #Chemistry #Condensed matter physics #Crystallography #Electronic band structure #Ferroelectricity #Graphene research and applications #Heterojunction #Materials science #Monolayer #Nanotechnology #Optoelectronics #Perovskite Materials and Applications #Physics #Point reflection #Stacking #Supercell #cond-mat.mes-hall #cond-mat.str-el #van der Waals force
paper · pdf · doi:10.1063/5.0048884
published in Applied Physics Letters 118(24) (American Institute of Physics) · 21 pages, 15 figures
openalex created_date 2021/03/15 · openalex publication_date 2021/06/14 · arxiv created 2021/06/17 · arxiv updated 2021/06/21 · openalex updated_date 2026/08/05
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 moiré 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 (θAP<1°), the band edges are located in small regions around the intersections of domain walls, giving highly localized quantum dot states.