Strain Mapping In Single-Layer 2D Crystals Via Raman Activity

Abstract

By performing density functional theory-based ab-initio calculations, Raman active phonon modes of novel single-layer two-dimensional (2D) materials and the effect of in-plane biaxial strain on the peak frequencies and corresponding activities of the Raman active modes are calculated. Our findings confirm the Raman spectrum of the unstrained 2D crystals and provide expected variations in the Raman active modes of the crystals under in-plane biaxial strain. The results are summarized as follows; (i) frequencies of the phonon modes soften (harden) under applied tensile (compressive) strains, (ii) the response of the Raman activities to applied strain for the in-plane and out-of-plane vibrational modes have opposite trends, thus, the built-in strains in the materials can be monitored by tracking the relative activities of those modes, (iii) in particular, the A-peak in single-layer Si and Ge disappear under a critical tensile strain, (iv) especially in mono and di- atomic single-layers, the shift of the peak frequencies is stronger indication of the strain rather than the change in Raman activities, (v) Raman active modes of single-layer ReX 2 (X=S, Se) are almost irresponsive to the applied strain. Strain-induced modifications in the Raman spectrum of 2D materials in terms of the peak positions and the relative Raman activities of the modes could be a convenient tool for characterization.

References in corpus (28)

• Electric Field Effect in Atomically Thin Carbon Films
• Atomically thin MoS2: A new direct-gap semiconductor
• Black phosphorus field-effect transistors
• Raman spectroscopy as a versatile tool for studying the properties of graphene
• High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
• Rediscovering Black Phosphorus: A Unique Anisotropic 2D Material for Optoelectronics and Electronics
• Two and one-dimensional honeycomb structures of silicon and germanium
• Quantum Spin Hall Effect in Silicene
• Monolayer honeycomb structures of group IV elements and III-V binary compounds
• Energy gaps, topological insulator state and zero-field quantum Hall effect in graphene by strain engineering
• Electrically Tunable Excitonic Light Emitting Diodes based on Monolayer WSe2 p-n Junctions
• Low-energy effective Hamiltonian involving spin-orbit coupling in Silicene and Two-Dimensional Germanium and Tin
• Phonon and Raman scattering of two-dimensional transition metal dichalcogenides from monolayer, multilayer to bulk material
• Strain-Engineering Anisotropic Electrical Conductance of Phosphorene and Few-Layer Black Phosphorus
• Experimental demonstration of continuous electronic structure tuning via strain in atomically thin MoS2
• The Shear Mode of Multi-Layer Graphene
• Band-structure topologies of graphene: spin-orbit coupling effects from first principles
• Anomalous Raman Spectra and Thickness Dependent Electronic properties of WSe2
• Shear and Layer Breathing Modes in Multilayer MoS2
• Optical Limiting and Theoretical Modelling of Layered Transition Metal Dichalcogenide Nanosheets
• How dielectric screening in two-dimensional crystals affects the convergence of excited-state calculations: Monolayer MoS${}_2$
• The Interlayer Shear Modes in Twisted Multi-layer Graphenes: Interlayer coupling, Davydov Splitting and Intensity Resonance
• Raman vibrational spectra of bulk to monolayer ReS2 with lower symmetry
• Hexagonal AlN: Dimensional-Crossover-Driven Bandgap Transition
• Interface coupling in twisted multilayer graphene by resonant Raman spectroscopy of layer breathing modes
• AC/DC Spin and Valley Hall Effects in Silicene and Germanene
• First-principles study of the electrical and lattice thermal transport in monolayer and bilayer graphene
• Substrate-free layer-number identification of two-dimensional materials: A case of Mo${}_{0.5}$W${}_{0.5}$S${}_2$ alloy

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• Spectrally tunable, large Raman enhancement from nonradiative energy transfer in van der Waals heterostructure