The Optical And Electronic Transport Properties Of The Doped Zigzag Graphene Nanoribbon

Due to the unique optical,electrical and magnetic properties of nano-materials under the quantum confinement effect,two-dimensional nano-materials represented by graphene have been widely applied to nanoelectronic devices.Studies have shown that cutting graphene can obtain graphene nanoribbons with different properties,and the zigzag graphene nanoribbons(ZGNR)have attracted wide attention due to its unique edge electronic states.The metallicity and magnetic order of the ZGNR make it suitable for photodetectors and spintronic transport.However,the ZGNR obtained in the laboratory is not completely pure and contains some impurities and defects.Therefore,in this paper,using the density functional theory and the non-equilibrium Green function method,we studied the effect of doping on the optical and electron transport in ZGNR,and got some interesting results.In terms of optical properties,doping can significantly change the dielectric function of ZGNR.Compared with the undoped,the photon energy corresponding to the absorption peaks of?~?(?)and?~|(?)is changed,which is caused by the change of the energy band due to doping.As the impurity concentration increases,the peaks of both absorption peaks increase,which makes it difficult for light to pass through the doped graphene nanoribbons.In terms of electron transport.When the ZGNR is doped with boron and nitrogen atoms,the magnetization distribution does not follow the spiral magnetization distribution of the Neel domain wall,but exhibits a two-zone feature.Its electron transmission coefficient shows that the effect of impurity scattering is greater than spin flip scattering.Similar features have also appeared in lithium-doped ZGNR.Our results are helpful for the design of optoelectronic devices and spintronic devices based on ZGNR.