Stability, electronic and optical properties of group IV graphenylene-like materials. An ab initio investigation
Luiz F. Kremer, R. J. Baierle
Topics & Concepts
Band gapDensity functional theorySemiconductorMaterials scienceAb initioHybrid functionalDirect and indirect band gapsAb initio quantum chemistry methodsElectronic structureElectronic band structurePhononComputational chemistryCondensed matter physicsMolecular physicsChemical physicsChemistryOptoelectronicsPhysicsMoleculeOrganic chemistryGraphene research and applications2D Materials and ApplicationsBoron and Carbon Nanomaterials Research