Blue phosphorene bilayer is a two-dimensional metal -- and an unambiguous classification scheme for buckled hexagonal bilayers

Abstract

High-level first-principles computations predict blue phosphorene bilayer to be a two-dimensional metal. This structure has not been considered before and was identified by employing a block-diagram scheme that yields the complete set of five high-symmetry stacking configurations of buckled honeycomb layers, and allows their unambiguous classification. We show that all of these stacking configurations are stable or at least metastable configurations both for blue phosphorene and gray arsenene bilayers. For blue phosphorene, the most stable stacking configuration has not yet been reported, and surprisingly it is metallic, while all other arrangements are indirect band gap semiconductors. As it is impossible to interchange the stacking configurations by translations, all of them should be experimentally accessible via the transfer of monolayers. The metallic character of blue phosphorene bilayer is caused by its short interlayer distance of 3.01 Å and offers the exceptional possibility to design single elemental all-phosphorus transistors.

References in corpus (13)

• Electric Field Effect in Atomically Thin Carbon Films
• Black phosphorus field-effect transistors
• Magic-angle graphene superlattices: a new platform for unconventional superconductivity
• 2D materials and van der Waals heterostructures
• Phosphorene: A New 2D Material with High Carrier Mobility
• Correlated Insulator Behaviour at Half-Filling in Magic Angle Graphene Superlattices
• The Computational 2D Materials Database: High-Throughput Modeling and Discovery of Atomically Thin Crystals
• Semiconducting layered blue phosphorus: A computational study
• Atomically thin boron nitride: a tunnelling barrier for graphene devices
• Arsenene: Two-dimensional buckled and puckered honeycomb arsenic systems
• GeP3: A small indirect band gap 2D crystal with high carrier mobility and strong interlayer quantum confinement
• Tunable Quantum Spin Hall Effect via Strain in two-Dimensional Arsenene Monolayer
• High-performance two-dimensional p-type transistors based on GaSe layers: an ab-initio study

Cited by in corpus (3)

• Topological edge and corner states and fractional corner charges in blue phosphorene
• Toward improved property prediction of 2D materials using many-body quantum Monte Carlo methods
• Electromechanical Switching and Momentum-Selective Transport in Geometry-Defined Blue Phosphorus Homojunctions