Study On Electronic Transport Properties Of C₃N

In this paper,the transport properties of C3N are studied theoretically.We study the electronic properties of C3N with different edges.The main methods used are edge doping and stress regulation.These two methods can influence the properties of C3N.The full text is divided into the following parts:The first chapter is an introduction,which mainly describes the development history,research background,main research methods and some major breakthroughs of two-dimensional materials and nanodevices in recent years.Particular attention has been paid to graphene and C3N,which are two-dimensional materials with relatively hot research in recent years.In the second chapter,we study the electronic transport properties of zigzag C3N with the edge of carbon and nitrogen.The calculation shows that the original zigzag C3N with the edge of carbon and nitrogen is characterized by spin splitting and metallicity.We terminate some non-metallic atoms at the edge,making some significant changes in their electronic properties.The first is the change of magnetism.Through the analysis of electron density theory,it is found that the magnetism of C3N with the edge of carbon and nitrogen mainly comes from edge carbon atoms,but it loses its magnetism when the edge is terminated with non-metallic atoms(no matter what kind of non-metallic atoms are doped).It is also well understood that the main source of the magnetism of C3N with the edge of carbon and nitrogen is the edge carbon atom.After the edge is doped with non-metallic atoms,the edge of the carbon atom saffirates and becomes an internal atom,so it loses its magnetism.It becomes from metal to semiconductor due to its edge saturation.Another method is the regulation of stress on the zigzag C3N with the edge of carbon and nitrogen.When a stress is applied on the zigzag C3N with the edge of carbon and nitrogen,the most intuitive change is the stretching or shortening of its structure.The result is to change its electronic properties,including the change of the relative position of energy band and Fermi level,and the change from semiconductor to metal under a specific stress.From nonmagnetic to magnetic,strain also has a significant change in its properties.Both of these methods will lead to the variation of the properties of zigzag C3N with the edge of carbon and nitrogen,which is a good means of regulation.In the third chapter,we study the electronic transport properties of zigzag C3N with the edge of carbon.Primitive zigzag C3N with the edge of carbon is a spin-based material and a metal.After been terminated with non-metallic atoms and straining,its electronic properties will change,either spin or electronic properties,depending on the method of regulation.Chapter 4 is a summary of this paper.It mainly includes changes of the properties of two kinds of zigzag edge C3N after doping and staining,and some insights and discoveries in the process of theoretical calculation.