Lattice Vibrational Modes and Raman Scattering Spectra of Strained Phosphorene

Abstract

Strain is prominent in fabricated samples of two-dimensional semiconductors and it also serves as an exploitable tool for engineering their properties. However, quantifying strain and characterizing its spatially inhomogeneous distribution across a material are challenging tasks. Here, we report the lattice vibrational modes and corresponding Raman spectra of strained monolayer black phosphorus (phosphorene) by first-principles simulations. We show that frequencies of vibrational modes of phosphorene and their Raman scattering peaks exhibit substantial and distinct shifts according to the types and size of strain. Therefore, combined with high spatial-resolution Raman scattering measurements, our calculated results can quantify strain distributions in phosphorene. This information is essential for understanding structures of future large-scale fabrication and strain engineering of phosphorene.

References in corpus (5)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Strain-Engineering Anisotropic Electrical Conductance of Phosphorene and Few-Layer Black Phosphorus
• Superior mechanical flexibility of phosphorene and few-layer black phosphorus
• Strain engineered direct-indirect band gap transition and its mechanism in 2D phosphorene
• Unusual Scaling Laws of the Band Gap and Optical Absorption of Phosphorene Nanoribbons

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• Modulation of electronic and mechanical properties of phosphorene through strain
• An Analytic Study of Strain Engineering the Electronic Bandgap in Single-Layer Black Phosphorus
• Thermal Conduction in Single-Layer Black Phosphorus: Highly Anisotropic?
• Exciton binding energies and luminescence of phosphorene under pressure
• Drastic enhancement of the Raman intensity in few-layer InSe by uniaxial strain
• The electronic origin of shear-induced direct to indirect gap transition and anisotropy diminution in phosphorene
• Second-Order Raman Scattering in Exfoliated Black Phosphorus
• The impact of hexagonal boron nitride encapsulation on the structural and vibrational properties of few layer black phosphorus
• Visible Out-of-plane Polarized Luminescence and Electronic Resonance from Black Phosphorus
• Study of Black Phosphorus Using Angle-Resolved Polarized Raman Spectroscopy with 442 nm Excitation