Using the Landauer formalism that combines both the non-equilibrium Green’s function and first-principles density functional theory, the electron transport properties of a one-dimensional molecular junction based on ...Using the Landauer formalism that combines both the non-equilibrium Green’s function and first-principles density functional theory, the electron transport properties of a one-dimensional molecular junction based on capped carbon nanotubes with boron doping at various sites are investigated. The results show that the electron transport properties are strongly dependent on the boron-doping site. Negative differential resistance behavior can be observed when boron-atom dopants are present in the tip region.展开更多
基金supported by the Natural Science Foundation of Shandong Province of China (ZR2009AL004)the Doctoral Foundation of Uni-versity of Jinan (XBS1004)
文摘Using the Landauer formalism that combines both the non-equilibrium Green’s function and first-principles density functional theory, the electron transport properties of a one-dimensional molecular junction based on capped carbon nanotubes with boron doping at various sites are investigated. The results show that the electron transport properties are strongly dependent on the boron-doping site. Negative differential resistance behavior can be observed when boron-atom dopants are present in the tip region.
