Electronic and optical properties of ultra-small diameter armchair carbon and boron nitride nanotubes by PBE, TB-mBJ and YS-PBE0 functionals
R. Takassa, O. Farkad, E.A. Ibnouelghazi, D. Abouelaoualim
Topics & Concepts
Materials scienceCarbon nanotubeDensity functional theoryBoron nitrideHybrid functionalBand gapCondensed matter physicsOptical properties of carbon nanotubesAnisotropyDopingDielectricOptoelectronicsNanotubeNanotechnologyMolecular physicsComputational chemistryOpticsChemistryPhysicsBoron and Carbon Nanomaterials ResearchGraphene research and applicationsDiamond and Carbon-based Materials Research