The Electronic Properties Of Low Dimensional Materials And The Transport Properties Of Their Nano-electronic Devices:an Ab Initio Study

Through First-principle calculation, we have studied the electronic structures of some two dimensional graphene-like materials and predicted their applications in semiconductor devices. The main contents are as followed. First we studied the transport properties of monolayer silicon carbide based p-n junctions in chapter 2, an NDR phenomena is revealed with a peak-to-valley ratio up to 104, and a high rectification ratio above 104 is found to exist in a wide bias range, these revealed properties indicate that monolayer silicon carbide is a promising platform for differential negative resistance amplifier and other nano-electronic diodes. Then the fluorination mechanism of graphene with SF6 and C4F8 plasma treatment is studied, indicating that SF6 plasma can synthesis properly fluorinated graphene, meanwhile, when single-side fluorinated graphene (C4F) is inserted beneath graphene with its F atoms pointing towards graphene, the performance of graphene-based poisonous molecular sensor is highly improved. Our work is expected to give some theoretical support for practical experiments and applications.