Edge State and Intrinsic Hole Doping in Bilayer Phosphorene

Abstract

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.

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Cited by in corpus (5)

• Toward a realistic description of multilayer black phosphorus: from $GW$ approximation to large-scale tight-binding simulations
• Electronic Structure and the Properties of Phosphorene Systems
• Disorder effect on the anisotropic resistivity of phosphorene determined by a tight-binding model
• Multiorbital edge and corner states in black phosphorene
• Surface buckling of phosphorene materials: determination, origin and influence on electronic structure