Stable halogen 2D Materials: the case of iodine and astatine

Abstract

Two-dimensional (2D) materials have wide applications towards electronic devices, energy storages, and catalysis, et al. So far, most of the pure element 2D materials are composed of group IIIA,IVA, and VA elements. Beyond the scope, the orbit hybrid configuration becomes a key fact to influence 2D structure stably. Here we show a sp2d3 hybridization in the outmost electrons with O-shell for Iodine and P-shell for astatine element, builds up triangle configuration (beta-type) to form 2D structures beta-iodiene and beta-astatiene. Each atom is connected by pi bonds, and surrounded by 6 atoms. The pi bonds become possible, and band gap approaches zero because of interaction of unpaired single electron to each atom, depending on reducing bond length. By applying compression strain or spin orbit coupling (SOC), the Dirac points or topological nontrivial points can be available in the beta-iodiene and beta-astatiene. Our discovery has paved a new way to construction of 2D materials.

arXiv comment21 pages,29 figures

References in corpus (21)

• Electric Field Effect in Atomically Thin Carbon Films
• Two-Dimensional Gas of Massless Dirac Fermions in Graphene
• Phonons and related properties of extended systems from density-functional perturbation theory
• Room-Temperature Quantum Hall Effect in Graphene
• Epitaxial Growth of Two-Dimensional Stanene
• Germanene: a novel two-dimensional Germanium allotrope akin to Graphene and Silicene
• Superior mechanical flexibility of phosphorene and few-layer black phosphorus
• Bismuthene on a SiC Substrate: A Candidate for a New High-Temperature Quantum Spin Hall Paradigm
• Observation of tunable bandgap and anisotropic Dirac semimetal state in black phosphorus
• Novel Precursors for Boron Nanotubes: The Competition of Two-Center and Three-Center Bonding in Boron Sheets
• Classification of stable three-dimensional Dirac semimetals with nontrivial topology
• Arsenene: Two-dimensional buckled and puckered honeycomb arsenic systems
• Borophene as an extremely high capacity electrode material for Li-ion and Na-ion batteries
• New Generation of Massless Dirac Fermions in Graphene under External Periodic Potentials
• Electronic, optical, and thermodynamic properties of borophene from first-principle calculations
• Monolayer Topological Insulators: Silicene, Germanene and Stanene
• Valley-Polarized Quantum Anomalous-Hall Effects in Silicene
• First-principles investigation of mechanical properties of silicene, germanene and stanene
• Low lattice thermal conductivity of stanene
• On the electronic structure of silicene on Ag substrate: strong hybridization effects
• Stability of topological properties of bismuth (111) bilayer