Research Of Electronic Structure And Wave Function Of Graphene

Since graphene was discoveried, research on graphene continued to make significant progress, graphene has unusual electrical properties extraordinary strength and very good light transmission, which has especially in the field of optoelectronic devices in the field of semiconductor materials good prospect. On the electronic properties of graphene research is the basis of graphene materials.First, the structure and electronic properties of graphene was theoretically derived in this paper, carbon-carbon bond angle was2π/3between adjacent carbon atoms in graphene.They are thereby covalently linked to other carbon atoms to a cellular layered hexagonal ring structure. Each carbon atom has a track perpendicular to the plane of the layer may be formed through the full thickness of the large multi-atom π bond, and thus has excellent electrical conductivity. And first-principles density functional theory were calculated graphene electron wave functions, electron density and density of states. According to the analysis of these results, we proved the results of the theoretical derivation.Through the energy band structure of graphene analysis of spin-orbit coupling leads to the symmetry of graphene electronic systems in the z direction is destroyed, the introduction of a small bandgap Dirac point. From the Fermi level π electronic band distortion at about-0.2eV it may be composed of two parts, one in-0.195eV, another in-0.16eV. At the twisted-0.195eV is attributed to the electron-E2g phonon coupling, the twist at-0.16eV is attributed to the electron-Al’ phonon coupling. Further analysis of the interaction can be drawn carbon atoms in the graphene hexagonal lattice structure between the carbon atoms that is electron sp2orbital hybridization influence and determine the effect on the structure and properties of graphene. It can be used for further investigation of the properties of graphene and related semiconductor materials such as gallium nitride.