Novel Two-Dimensional Silicon Dioxide with in-plane Negative Poisson's Ratio

Abstract

Silicon dioxide or silica, normally existing in various bulk crystalline and amorphous forms, is recently found to possess a two-dimensional structure. In this work, we use ab initio calculation and evolutionary algorithm to unveil three new 2D silica structures whose themal, dynamical and mechanical stabilities are compared with many typical bulk silica. In particular, we find that all these three 2D silica have large in-plane negative Poisson's ratios with the largest one being double of penta-graphene and three times of borophenes. The negative Poisson's ratio originates from the interplay of lattice symmetry and Si-O tetrahedron symmetry. Slab silica is also an insulating 2D material, with the highest electronic band gap (> 7 eV) among reported 2D structures. These exotic 2D silica with in-plane negative Poisson's ratios and widest band gaps are expected to have great potential applications in nanomechanics and nanoelectronics.

19 pages, 4 figures, published as Nano Lett., 17, 772 (2017). See also: http://pubs.acs.org/doi/abs/10.1021/acs.nanolett.6b03921

References in corpus (7)

• 2D materials and van der Waals heterostructures
• Intrinsic Correlation between Hardness and Elasticity in Polycrystalline Materials and Bulk Metallic Glasses
• Superior mechanical flexibility of phosphorene and few-layer black phosphorus
• Auxetic Black Phosphorus: A 2D Material with Negative Poisson's Ratio
• How to Characterize Thermal Transport Capability of 2D Materials Fairly? - Sheet Thermal Conductance and the Choice of Thickness
• Auxetic Nanomaterials: Recent Progress and Future Development
• Stable single-layer honeycomb like structure of silica

Cited by in corpus (12)

• High Thermoelectric Performance in Two-Dimensional Tellurium: An Ab Initio Study
• Ultralow lattice thermal conductivity of monolayer penta-silicene and penta-germanene
• Potential molecular semiconductor devices: cyclo-Cn (n = 10 and 14) with higher stabilities and aromaticities than acknowledged cyclo-C18
• Ultralow lattice thermal conductivity and electronic properties of monolayer 1T phase semimetal SiTe2 and SnTe2
• Anisotropic thermal expansion and thermomechanic properties of monolayer $\beta$-Te
• Magnetic borophenes from evolutionary search
• Abnormally low thermal conductivity of 2D selenene: An ab initio study
• Strain Effects on the Mechanical Properties of Group-V Monolayers with Buckled Honeycomb Structures
• Insight into Two-Dimensional Borophene: Five-Center Bond and Phonon-Mediated Superconductivity
• On the Nature of Interlayer Bonds in Two-dimensional Materials
• Structural phase transition in monolayer gold(I) telluride: From a room-temperature topologicalinsulator to an auxetic semiconductor
• Anomalous thermal conductivity in 2D silica nanocages of immobilizing noble gas atom