1 Graphene Research Centre and Department of Physics, National University of Singapore - 117542, Singapore
2 Boston University - 590 Commonwealth Ave., Boston MA 02215, USA
Received: 29 August 2014
Accepted: 22 October 2014
Edge-induced gap states in finite phosphorene layers are examined using analytical models and density functional theory. The nature of such gap states depends on the direction of the cut. Armchair nanoribbons are insulating, whereas nanoribbons cut in the perpendicular direction (with zigzag and cliff-type edges) are metallic, unless they undergo a reconstruction or distortion with cell doubling, which opens a gap. All stable nanoribbons with unsaturated edges have gap states that can be removed by hydrogen passivation. Armchair nanoribbon edge states decay exponentially with the distance to the edge and can be described by a nearly free electron model. This is used to prove the existence of the gap states in the limit of a semi-infinite plane.
PACS: 73.20.At – Surface states, band structure, electron density of states / 73.63.-b – Electronic transport in nanoscale materials and structures
© EPLA, 2014