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Title: Strain-induced gap transition and anisotropic Dirac-like cones in monolayer and bilayer phosphorene

The electronic properties of two-dimensional monolayer and bilayer phosphorene subjected to uniaxial and biaxial strains have been investigated using first-principles calculations based on density functional theory. Strain engineering has obvious influence on the electronic properties of monolayer and bilayer phosphorene. By comparison, we find that biaxial strain is more effective in tuning the band gap than uniaxial strain. Interestingly, we observe the emergence of Dirac-like cones by the application of zigzag tensile strain in the monolayer and bilayer systems. For bilayer phosphorene, we induce the anisotropic Dirac-like dispersion by the application of appropriate armchair or biaxial compressive strain. Our results present very interesting possibilities for engineering the electronic properties of phosphorene and pave a way for tuning the band gap of future electronic and optoelectronic devices.
Authors:
; ; ;  [1]
  1. School of Physics and Electronics, Central South University, Changsha 410083 (China)
Publication Date:
OSTI Identifier:
22399345
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 12; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ANISOTROPY; COMPARATIVE EVALUATIONS; CONES; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; ENERGY GAP; LAYERS; OPTOELECTRONIC DEVICES; PHOSPHORUS COMPOUNDS; STRAINS; TWO-DIMENSIONAL CALCULATIONS; TWO-DIMENSIONAL SYSTEMS