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

Journal Article · Sat Mar 28 00:00:00 EDT 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4916254· OSTI ID:22399345

Wang, Can; Xia, Qinglin; Nie, Yaozhuang; Guo, Guanghua ^[1]

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1. School of Physics and Electronics, Central South University, Changsha 410083 (China)

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.

• OSTI ID: 22399345
• Journal Information: Journal of Applied Physics, Vol. 117, Issue 12; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

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