title: Theoretical study of electron tunneling through the spiral molecule junctions along spiral paths.
abstract: The electronic transport properties of carbohelicenes and heterohelicenes absorbed between two metal electrodes have been investigated by using the nonequilibrium Green's function in combination with the density function theory. The transport properties of the molecular junctions are mainly dependent on the nature of spiral molecules. The detailed analyses of the transmission spectra, the energy levels as well as the spatial distribution of molecular projected self-consistent Hamiltonian explain how the geometry of molecules affects the intra-molecular electronic coupling. The spiral current in the configurations can be achieved by tuning the outer edge states of spiral-shaped molecules. Furthermore, the symmetric current-voltage characteristics are investigated with the bias changing for all devices as well as an negative differential resistance behavior is observed.
authors.affiliation: Department of Physics, Harbin Institute of Technology, Harbin, 150001, P. R. China. jiangyy@hit.edu.cn.
authors.forename: Xiaodong
authors.initials: X
authors.lastname: Xu
authors.affiliation: Department of Physics, Harbin Institute of Technology, Harbin, 150001, P. R. China. jiangyy@hit.edu.cn.
authors.forename: Weiqi
authors.initials: W
authors.lastname: Li
authors.affiliation: Institute of Theoretical and Simulational Chemistry, Academy of Fundamental and Interdisciplinary Sciences, Harbin Institute of Technology, Harbin, 150001, P. R. China.
authors.forename: Xin
authors.initials: X
authors.lastname: Zhou
authors.affiliation: Department of Applied Chemistry, College of Science, Nanjing Tech University, Nanjing, 211816, P. R. China.
authors.forename: Qiang
authors.initials: Q
authors.lastname: Wang
authors.affiliation: Institute of Theoretical Chemistry and College of Chemistry Jilin University, 130023, Changchun, P. R. China.
authors.forename: Jikang
authors.initials: J
authors.lastname: Feng
authors.affiliation: College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, P. R. China.
authors.forename: Wei Quan
authors.initials: WQ
authors.lastname: Tian
authors.affiliation: Department of Physics, Harbin Institute of Technology, Harbin, 150001, P. R. China. jiangyy@hit.edu.cn.
authors.forename: Yongyuan
authors.initials: Y
authors.lastname: Jiang