Investigation of strain and doping on the electronic properties of single layers of C<sub>6</sub>N<sub>6</sub> and C<sub>6</sub>N<sub>8</sub>: a first principles study
A. Bafekry, Chương V. Nguyen, Abbas Goudarzi, Mitra Ghergherehchi, Mohsen Shafieirad
Abstract
Using first-principles calculations, we explore the effects of atom doping and strain on the structural, electronic, and magnetic properties of C<sub>6</sub>N<sub>6</sub> and C<sub>6</sub>N<sub>8</sub> monolayers.
Topics & Concepts
MonolayerDopingMaterials scienceMagnetismAtom (system on chip)Condensed matter physicsElectronic structureImpurityBand gapMagnetic momentCrystallographyNanotechnologyChemistryOptoelectronicsPhysicsComputer scienceEmbedded systemOrganic chemistry2D Materials and ApplicationsZnO doping and propertiesElectronic and Structural Properties of Oxides