title: Stable single-layer honeycomblike structure of silica.
abstract: Silica or SiO(2), the main constituent of Earth's rocks has several 3D complex crystalline and amorphous phases, but it does not have a graphitelike layered structure in 3D. Our theoretical analysis and numerical calculations from the first principles predict a single-layer honeycomblike allotrope, hα silica, which can be viewed to be derived from the oxidation of silicene and it has intriguing atomic structure with reentrant bond angles in hexagons. It is a wide band gap semiconductor, which attains remarkable electromechanical properties showing geometrical changes under an external electric field. In particular, it is an auxetic metamaterial with a negative Poisson's ratio and has a high piezoelectric coefficient. While it can form stable bilayer and multilayer structures, its nanoribbons can show metallic or semiconducting behavior depending on their chirality. Coverage of dangling Si orbitals by foreign adatoms can attribute new functionalities to hα silica. In particular, Si(2)O(5), where Si atoms are saturated by oxygen atoms from top and bottom sides alternatingly can undergo a structural transformation to make silicatene, another stable, single layer structure of silica.
authors.affiliation: UNAM-National Nanotechnology Research Center, Bilkent University, 06800 Ankara, Turkey and Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey.
authors.forename: V Ongun
authors.initials: VO
authors.lastname: Özçelik
authors.affiliation: Nano-Bio Spectroscopy Group, Departamento Fisica de Materiales, Universidad del Pais Vasco, Centro de Fisica de Materiales CSIC-UPV/EHU-MPC and DIPC, Avenida Tolosa 72, E-20018 San Sebastian, Spain and Department of Physics, Bilkent University, Ankara 06800, Turkey.
authors.forename: S
authors.initials: S
authors.lastname: Cahangirov
authors.affiliation: Department of Physics, Bilkent University, Ankara 06800, Turkey.
authors.forename: S
authors.initials: S
authors.lastname: Ciraci
mesh_terms: D003460:Crystallization; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D049329:Nanostructures / Q000737:chemistry; D012822:Silicon Dioxide / Q000737:chemistry*
chemical_list: D012822:Silicon Dioxide