Semiconducting layered blue phosphorus: A computational study

Abstract

We investigate a previously unknown phase of phosphorus that shares its layered structure and high stability with the black phosphorus allotrope. We find the in-plane hexagonal structure and bulk layer stacking of this structure, which we call `blue phosphorus', to be related to graphite. Unlike graphite and black phosphorus, blue phosphorus displays a wide fundamental band gap and should exfoliate easily to form quasi-2D structures suitable for electronic applications. We study a likely transformation pathway from black to blue phosphorus and discuss possible ways to synthesize the new structure.

5 pages, 4 figures; accepted by Phys. Rev. Lett

Cited by in corpus (69)

• Semiconducting Black Phosphorus: Synthesis, Transport Properties and Electronic Applications
• The Renaissance of Black Phosphorus
• Arsenene: Two-dimensional buckled and puckered honeycomb arsenic systems
• Phase coexistence and metal-insulator transition in few-layer phosphorene: A computational study
• High quality sandwiched black phosphorus heterostructure and its quantum oscillations
• Atomically thin group-V elemental films: theoretical investigations of antimonene allotropes
• The potential applications of phosphorene as anode materials in Li-ion batteries
• Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles
• Strain Engineering for Phosphorene: The Potential Application as a Photocatalyst
• GeP3: A small indirect band gap 2D crystal with high carrier mobility and strong interlayer quantum confinement
• The Electronic Properties of Phosphorene/Graphene and Phosphorene/Hexagonal Boron Nitride Heterostructures
• Modulation of electronic and mechanical properties of phosphorene through strain
• Electric field induced gap modification in ultrathin blue phosphorous
• Blue Phosphorene Oxide: Strain-tunable Quantum Phase Transitions and Novel 2D Emergent Fermions
• A New Phosphorus Allotrope with Direct Band Gap and High Mobility
• One-dimensional phosphorus chain and two-dimensional blue phosphorene grown on Au(111) by molecular-beam epitaxy
• Topological Protected Dirac Cones in Compressed Bulk Black Phosphorus
• Electron-doped phosphorene: A potential monolayer superconductor
• Comparative study of phonon spectrum and thermal expansion of graphene, silicene, germanene and blue phosphorene
• High stability of faceted nanotubes and fullerenes of multi-phase layered phosphorus: A computational study
• Stability and properties of high-buckled two-dimensional tin and lead
• Tunable Magnetic Semiconductor Behavior Driven by Half-Filled One Dimensional Band in Zigzag Phosphorene Nanoribbons
• A Stillinger-Weber Potential for Single-Layer Black Phosphorus, and the Importance of Cross-Pucker Interactions for Negative Poisson's Ratio and Edge Stress-Induced Bending
• A theoretical study of blue phosphorene nanoribbons based on first-principles calculations
• Effects of extrinsic point defects in phosphorene: B, C, N, O and F Adatoms
• Electronic and optical properties of bilayer blue phosphorus
• Strain and the optoelectronic properties of non-planar phosphorene monolayers
• Continuum approach for long-wavelength acoustic phonons in quasi-2D structures
• A Perspective on Recent Advances in Phosphorene Functionalization and its Application in Devices
• Valley-polarized quantum anomalous Hall phase and disorder induced valley-filtered chiral edge channels
• Atomic-scale imaging of few-layer black phosphorus and its reconstructed edge
• Exciton binding energies and luminescence of phosphorene under pressure
• Twisted bilayer blue phosphorene: A direct band gap semiconductor
• Environmental Stability of Bismuthene: Oxidation Mechanism and Structural Stability of 2D Pnictogens
• Strain-controlled fundamental gap and structure of bulk black phosphorus
• A First-Principles Study on the Adsorption of Small Molecules on Arsenene: Comparison of Oxidation Kinetics in Arsenene, Antimonene, Phosphorene and InSe
• Prediction of above $20$ K superconductivity of blue phosphorus bilayer with metal intercalations
• Changing the Phosphorus Allotrope from a Square Columnar Structure to a Planar Zigzag Nanoribbon by Increasing the Diameter of Carbon Nanotube Nanoreactors
• The electronic origin of shear-induced direct to indirect gap transition and anisotropy diminution in phosphorene
• Van der Waals Heterostructures Based on Allotropes of Phosphorene and MoSe2
• Dirac Fermions in Blue-Phosphorus
• Unusually stable helical coil allotrope of phosphorus
• Electronic properties of single-layer antimony: Tight-binding model, spin-orbit coupling and the strength of effective Coulomb interactions
• Metastable piezoelectric group IV monochalcogenide monolayers with a buckled honeycomb structure
• Anisotropic thermal expansion and thermomechanic properties of monolayer $\beta$-Te
• Strain Effects on the Mechanical Properties of Group-V Monolayers with Buckled Honeycomb Structures
• Electronic Structure and Band Gap Engineering of Two-Dimensional Octagon-Nitrogene
• Unconventional Strain-Dependent Conductance Oscillations in Pristine Phosphorene
• Simulated scanning tunneling microscopy images of few-layer-phosphorus capped by graphene and hexagonal boron nitride monolayers
• Disorder effect on the anisotropic resistivity of phosphorene determined by a tight-binding model
• Proximity induced Colossal Conductivity Modulation in Phosphorene
• Insight into Two-Dimensional Borophene: Five-Center Bond and Phonon-Mediated Superconductivity
• Kinetics-Limited Two-Step Growth of van der Waals Puckered Honeycomb Sb Monolayer
• Strain-induced Weyl and Dirac states and direct-indirect gap transitions in group-V materials
• Control of superconducting pairing symmetries in monolayer black phosphorus
• Nano-scale displacement sensing based on Van der Waals interaction
• Type-II Red Phosphorus: Wavy Packing of Twisted Pentagonal Tubes
• Tunnelling Characteristics of Stone-Wales Defects in Monolayers of Sn and Group-V Elements
• Superconducting properties of doped blue phosphorene: Effects of non-adiabatic approach
• Spatially indirect excitons in black and blue phosphorene double layers
• Diffusion Quantum Monte Carlo Study of Martensitic Phase Transition: The Case of Phosphorene
• Low-symmetry two-dimensional BNP${}_2$ and C${}_2$SiS structures with high and anisotropic carrier mobilities
• Topological Nature of Orbital Chern Insulators
• Interlayer decoupling in twisted bilayers of $\beta$-phosphorus and arsenic: a computational study
• Evidence of a two-dimensional nitrogen crystalline structure on silver surfaces
• Local curvature and stability of two-dimensional systems
• Anisotropy engineering edge magnetism in zigzag honeycomb nanoribbons
• A nonlinear hyperelasticity model for single layer blue phosphorus based on ab-initio calculations
• Structures of group-15 elemental solids from an effective boundary theory