Group theory for structural analysis and lattice vibrations in phosphorene systems

Abstract

Group theory analysis for two-dimensional elemental systems related to phosphorene is presented, including (i) graphene, silicene, germanene and stanene, (ii) dependence on the number of layers and (iii) two stacking arrangements. Departing from the most symmetric $D_{6h}^1$ graphene space group, the structures are found to have a group-subgroup relation, and analysis of the irreducible representations of their lattice vibrations makes it possible to distinguish between the different allotropes. The analysis can be used to study the effect of strain, to understand structural phase transitions, to characterize the number of layers, crystallographic orientation and nonlinear phenomena.

24 pages, 3 figures

References in corpus (21)

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Cited by in corpus (24)

• k.p theory for two-dimensional transition metal dichalcogenide semiconductors
• Phosphorene analogues: isoelectronic two-dimensional group-IV monochalcogenides with orthorhombic structure
• Anomalous polarization dependence of Raman scattering and crystallographic orientation of black phosphorus
• Observation of Low-frequency Interlayer Breathing Modes in Few-layer Black Phosphorus
• Atomically thin binary V-V compound semiconductor: a first-principles study
• Intrinsic Charge Carrier Mobility in Single-Layer Black Phosphorus
• Dilute magnetic semiconductor and half metal behaviors in 3d transition-metal doped black and blue phosphorenes: a first-principles study
• A library of ab initio Raman spectra for automated identification of 2D materials
• Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron-Phonon Couplings
• Electric-field tunable Dirac semimetal state in phosphorene thin films
• Highly anisotropic electronic transport properties of monolayer and bilayer phosphorene from first principles
• Diffusive nature of thermal transport in stanene
• Highly anisotropic spin transport in ultrathin black phosphorus
• Linking emergent phenomena and broken symmetries through one-dimensional objects and their dot/cross products
• Optical third harmonic generation in black phosphorus
• Nonlinear Optical Susceptibilities and Linear Absorption in Phosphorene Nanoribbons: Ab initio study
• Group theory study of the vibrational modes and magnetic order in the topological antiferromagnet MnBi${}_2$Te${}_4$
• Ultrathin films of black phosphorus as suitable platforms for unambiguous observation of the orbital Hall effect
• Valence force model and nanomechanics of single-layer phosphorene
• Tunable anisotropic behaviors in phosphorene under periodic potentials in arbitrary directions
• Origins of electromagnetic anisotropy in monolayer black phosphorus
• Group Theory Analysis of Phonons in Monolayer Chromium Trihalides and Their Janus Structures
• Study of Black Phosphorus Using Angle-Resolved Polarized Raman Spectroscopy with 442 nm Excitation
• Gate-tunable chiral phonons in low-buckled group-IVA monolayers