Modulation of electronic and mechanical properties of phosphorene through strain

Abstract

We report a first-principles study on the elastic, vibrational, and electronic properties of recently synthesized phosphorene. By calculating Grüneisen parameters, we evaluate the frequency shift of Raman/infrared active modes via symmetric biaxial strain. We also study an inducing semiconductor-metal transition, the gap size, and effective mass of carriers in various strain configurations. Furthermore, we unfold the emergence of a peculiar Dirac-shaped dispersion for specific strain conditions, including the zigzag-oriented tensile strain. The observed linear energy spectrum has distinct velocities corresponding to each of its linear branches and is limited to the $\Gamma -X$ direction in the first Brillouin zone.

arXiv comment8 pages, 5 figures

References in corpus (25)

• Electric Field Effect in Atomically Thin Carbon Films
• The SIESTA method for ab initio order-N materials simulation
• Efficient index handling of multidimensional periodic boundary conditions
• Van der Waals heterostructures
• Phosphorene: A New 2D Material with High Carrier Mobility
• High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
• Tunable Band Gap and Anisotropic Optical Response in Few-layer Black Phosphorus
• Fast and broadband photoresponse of few-layer black phosphorus field-effect transistors
• Strain-induced gap modification in black phosphorus
• Strain-Engineering Anisotropic Electrical Conductance of Phosphorene and Few-Layer Black Phosphorus
• Black Phosphorus-Monolayer MoS2 van der Waals Heterojunction P-N Diode
• Electric field effect in ultrathin black phosphorus
• Semiconducting layered blue phosphorus: A computational study
• Superior mechanical flexibility of phosphorene and few-layer black phosphorus
• Strain engineered direct-indirect band gap transition and its mechanism in 2D phosphorene
• Negative Poisson's Ratio in Single-Layer Black Phosphorus
• Tunable optical properties of multilayers black phosphorus thin films
• Plasma-assisted fabrication of monolayer phosphorene and its Raman characterization
• The response of mechanical and electronic properties of graphane to the elastic strain
• Effect of van der Waals interactions on the structural and elastic properties of black phosphorus
• Hinge-like structure induced unusual properties of black phosphorus and new strategies to improve the thermoelectric performance
• Electrons and holes in phosphorene
• Lattice Vibrational Modes and Raman Scattering Spectra of Strained Phosphorene
• Mechanical properties of freely suspended semiconducting graphene-like layers based on MoS2
• Engineering Schottky Barrier in Black Phosphorus field effect devices for spintronic applications

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• Field-Effect Transistor Based on MoSi${}_2$N${}_4$ and WSi${}_2$N${}_4$ Monolayers Under Biaxial Strain: A Computational Study of the Electronic Properties
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• Straintronics in Phosphorene: Tensile vs Shear Strains and Their Combinations for Manipulating the Band Gap
• Strain engineering the charged-impurity-limited carrier mobility in phosphorene
• Band gap reconstruction at the interface between black phosphorus and a gold electrode
• Quantum transport through the edge states of Zigzag phosphorene nanoribbons in presence of a single point defect: analytic Green's function method
• Valence force model and nanomechanics of single-layer phosphorene
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• Insights into electronic and transport properties of phosphorene nanorings in two perpendicular directions: Effects of circular and elliptical external potentials
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• Wetting and Diffusion of Water on Pristine and Strained Phosphorene
• Tight Binding Parametrization of Few-layer Black Phosphorus from First-Principles Calculations