Electronic bandgap and edge reconstruction in phosphorene materials

Liangbo Liang, Jun Wang, Wenzhi Lin, Bobby G. Sumpter, Vincent Meunier, Minghu Pan

Research output: Contribution to journalArticlepeer-review

464 Scopus citations

Abstract

Single-layer black phosphorus (BP), or phosphorene, is a highly anisotropic two-dimensional elemental material possessing promising semiconductor properties for flexible electronics. However, the direct bandgap of single-layer black phosphorus predicted theoretically has not been directly measured, and the properties of its edges have not been considered in detail. Here we report atomic scale electronic variation related to strain-induced anisotropic deformation of the puckered honeycomb structure of freshly cleaved black phosphorus using a high-resolution scanning tunneling spectroscopy (STS) survey along the light (x) and heavy (y) effective mass directions. Through a combination of STS measurements and first-principles calculations, a model for edge reconstruction is also determined. The reconstruction is shown to self-passivate most dangling bonds by switching the coordination number of phosphorus from 3 to 5 or 3 to 4.

Original languageEnglish (US)
Pages (from-to)6400-6406
Number of pages7
JournalNano letters
Volume14
Issue number11
DOIs
StatePublished - Nov 12 2014

All Science Journal Classification (ASJC) codes

  • Bioengineering
  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics
  • Mechanical Engineering

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