Two-Dimensional Antimony Oxide
Stefan Wolff, Roland Gillen, Mhamed Assebban, Gonzalo Abellán, Janina Maultzsch
Abstract
Two-dimensional (2D) antimony, so-called antimonene, can form antimonene oxide when exposed to air. We present different types of single- and few-layer antimony oxide structures, based on density functional theory (DFT) calculations. Depending on stoichiometry and bonding type, these novel 2D layers have different structural stability and electronic properties, ranging from topological insulators to semiconductors with direct and indirect band gaps between 2.0 and 4.9 eV. We discuss their vibrational properties and Raman spectra for experimental identification of the predicted structures.
Topics & Concepts
AntimonyRaman spectroscopyMaterials scienceDensity functional theoryStoichiometryBand gapOxideSemiconductorAntimony oxideElectronic structureChemical physicsComputational chemistryCondensed matter physicsPhysical chemistryOptoelectronicsChemistryPhysicsOpticsMetallurgy2D Materials and ApplicationsGraphene research and applicationsTopological Materials and Phenomena