2014/10/29 by T. Osada, Toshihito Osada
Chemistry · Engineering · Materials Science · Physics and Astronomy · #2D Materials and Applications #Acceptor #Band gap #Bilayer #Bilayer graphene #Chemistry #Condensed matter physics #Doping #Enhanced Data Rates for GSM Evolution #Geometry #Graphene #MXene and MAX Phase Materials #Materials science #Monolayer #Nanotechnology #Perovskite Materials and Applications #Phosphorene #Physics #Zigzag #cond-mat.mes-hall
paper · pdf · doi:10.7566/jpsj.84.013703
published as J. Phys. Soc. Jpn. 84, 013703 (2015) · 4 figures
arxiv created 2014/10/29 · openalex publication_date 2014/12/09 · arxiv updated 2014/12/11 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
Using a simple LCAO model by Harrison, we have qualitatively studied the edge state of bilayer phosphorene, which is a unit structure of the layered crystal of black phosphorus. This model successfully reproduces the isolated edge state in the bulk gap in monolayer phosphorene. In bilayer phosphorene, however, it shows that edge states are almost buried in the valence band and there is no isolated midgap edge state at the zigzag edge. Since the buried edge state works as acceptor, holes are doped from the edge state into the bulk. This gives a possible explanation for p-type conduction in undoped black phosphorus. Under the vertical electric field, the intrinsic hole doping is reduced because a part of edge states move into the gap. These features of bilayer phosphorene might be better suited for device application.