Tuning The Electronic Structure And Magnetic Properties Of Graphene By Compensated N-p Codoping Altogether With π-π Interaction

At present people’s research to the graphene composites is in itsinfancy. The successful stripping of graphene in2004and thesubsequent synthesis of graphene oxide have expanded the appliedsphere of graphene,such as OLED, catalysts used for chemical orbiological activity and modification and so on. To modify graphenechemically, more material based on graphene will be produced bymeans of adsorption,doping and so on. This paper will studygraphene system from two aspects of spintronics andsemiconductor.Graphene’s special physical characteristics make it a favouriteto replace silicon, and become the future electronics materials.However, weak spin orbit coupling and zero energy gap, Theseshortcomings hindered the application of graphene in electronicdevices. In order to design and manufacture high performancematerial of electronic devices, magnetic produces from thegraphene and openess of the main body of the graphene energy gapplays an important role on the development of spintronics andsemiconductor industry based on graphene. Although manyresearch team made great efforts but the result was still unsatisfactory. For example,when introduced magnetic, theelectronic structure of graphene was damaged greatly. Theoriesprovide basis and instruction for the experiment. So adopting thefirst principles density functional theory, this paper studieselectronic structure and magnetic properties of Fe/NO₂codopinggraphene and F4-TCNQ adsorbed graphene. Research found that:（1）Through p-n codoping method, we successfully inventedferromagnetic graphene in theory. And more important, p-ncodoping graphene’s damage to the electronic structure is small.The linear relationship between the graphene still exists, namelyoriginal nature of the graphene remains the same. So that graphenebecomes spintronics materials with novel physical properties.（2）Study found Ï€-Ï€ can well control the energy gap of interactionsystem in graphene and the linear dispersion relation of energy isnot damaged. What is more important is that, compared to othermethods, its band gap has enhanced greatly. Ï€-Ï€ interaction methodis a better way to open the band gap of graphene.