Electric field induced gap modification in ultrathin blue phosphorous

Abstract

We investigate the possibility of band structure engineering in the recently predicted 2D layered form of blue phosphorus via an electric field (E${}_z$) applied perpendicular to the layer(s). Using density functional theory, we study the effect of a transverse electric field in monolayer, as well as three differently stacked bilayer structures of blue phosphorus. We find that, for E${}_z>0.2$ V/Å the direct energy gap at the $\Gamma$ point, which is much larger than the default indirect band gap of mono- and bilayer blue phosphorus, decreases linearly with the increasing electric field; becomes comparable to the default indirect band gap at E${}_z\approx 0.45(0.35)$ V/Å for monolayer (bilayers) and decreases further until the semiconductor to metal transition of 2D blue phosphorus takes place at E${}_z\approx 0.7(0.5)$ V/Å for monolayer (bilayers). Calculated values of the electron and hole effective masses along various high symmetry directions in the reciprocal lattice suggests that the mobility of charge carriers is also influenced by the applied electric field.

arXiv comment4 pages, 4 figures, final version, to appear in PRB

References in corpus (15)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• The electronic properties of graphene
• Black phosphorus field-effect transistors
• Phosphorene: A New 2D Material with High Carrier Mobility
• High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
• Two and one-dimensional honeycomb structures of silicon and germanium
• Biased bilayer graphene: semiconductor with a gap tunable by electric field effect
• Strain-induced gap modification in black phosphorus
• Epitaxial Growth of a Silicene Sheet
• Electric field effect in ultrathin black phosphorus
• Semiconducting layered blue phosphorus: A computational study
• Electrically Tunable Band Gap in Silicene
• Electronic structure of silicon-based nanostructures
• Evidence for Dirac Fermions in a honeycomb lattice based on silicon
• Phase coexistence and metal-insulator transition in few-layer phosphorene: A computational study

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• Anisotropic plasmons, excitons and electron energy loss spectroscopy of phosphorene
• Twisted bilayer blue phosphorene: A direct band gap semiconductor
• Prediction of above $20$ K superconductivity of blue phosphorus bilayer with metal intercalations
• Electric-field tunable Dirac semimetal state in phosphorene thin films
• Strain-tunable charge carrier mobility of atomically thin phosphorus allotropes
• Interplay between in-plane and flexural phonons in electronic transport of two-dimensional semiconductors
• Switchable Atomically Thin 2D Electrides from First-principles Prediction
• Full-zone Persistent Spin Textures with Giant Spin Splitting in Two-dimensional Group IV-V Compounds
• External-strain-induced semimetallic and metallic phase of chlorographene
• Interlayer decoupling in twisted bilayers of $\beta$-phosphorus and arsenic: a computational study