Four superhard tetragonal carbon allotropes: First-principles calculations
Heng Liu, Mengjiang Xing, Qingyang Fan
Topics & Concepts
Tetragonal crystal systemHybrid functionalMaterials scienceDensity functional theorySemiconductorBand gapCarbon fibersBulk modulusDirect and indirect band gapsWide-bandgap semiconductorCondensed matter physicsChemical physicsNanotechnologyCrystallographyComputational chemistryOptoelectronicsComposite materialChemistryCrystal structurePhysicsComposite numberBoron and Carbon Nanomaterials ResearchGraphene research and applicationsMXene and MAX Phase Materials