Journal
NANO LETTERS
Volume 14, Issue 11, Pages 6400-6406Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nl502892t
Keywords
Phosphorene; scanning tunneling microscopy/spectroscopy; direct bandgap monatomic step-edges; density functional theory; self-passivation
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Funding
- Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy
- New York State under NYSTAR program [C080117]
- Office of Naval Research
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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.
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