title: The electronic transport properties of zigzag silicene nanoribbon slices with edge hydrogenation and oxidation.
abstract: First principles calculations are performed to study the transport properties of H or H2 edge-hydrogenated zigzag silicene nanoribbon slices with 6 zigzag chains (6ZSiNR) as well as OH or O edge-oxidized 6ZSiNR slices connected with H-terminated 6ZSiNR electrodes. We mainly focus on two configurations: symmetric edge modification and asymmetric edge modification. It is found that these configurations show distinctly different transport behaviours under bias voltages, depending on whether their structures satisfy c2 symmetry operation along the central axis. In addition, the effects of various functional groups on the electronic transport are investigated; comparison of the current magnitudes indicates that the H group has the strongest effect, followed by the OH group, the O group, and the H2 group. This difference is revealed to be related to the coupling interaction between the edge groups of the ZSiNR slices and the H groups of the ZSiNRs electrodes, as well as the transmission channels around the Fermi level.
authors.affiliation: School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China. liuds@sdu.edu.cn.
authors.forename: Dongqing
authors.initials: D
authors.lastname: Zou
authors.affiliation: School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China. liuds@sdu.edu.cn.
authors.forename: Wenkai
authors.initials: W
authors.lastname: Zhao
authors.affiliation: Department of Physics, Jining University, Qufu 273155, People's Republic of China.
authors.forename: Changfeng
authors.initials: C
authors.lastname: Fang
authors.affiliation: School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China. liuds@sdu.edu.cn.
authors.forename: Bin
authors.initials: B
authors.lastname: Cui
authors.affiliation: School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China. liuds@sdu.edu.cn and Department of Physics, Jining University, Qufu 273155, People's Republic of China.
authors.forename: Desheng
authors.initials: D
authors.lastname: Liu