title: Metal-semiconductor-metal transition in zigzag carbon nanoscrolls.
abstract: Similar to rolling up paper, carbon nanoscrolls (CNSs) can be rolled from graphene nanoribbons (GNRs) using physical approaches. Owing to their peculiar one-dimensional nanostructures, CNSs have attracted great attention over the past few years. In this study, we have investigated the effects of bending deformation on the electronic properties of zigzag CNSs (ZCNSs) during the rolling process from zigzag GNRs (ZGNRs) by means of first-principles calculations. It is found that a metal-semiconductor-metal transition is observed. By analyzing charge density and density of states, the origin of this electronic property transition is discussed. Furthermore, we find that the metal-semiconductor-metal transition in ZCNSs is independent of ribbon width as well as spin-orbit interaction. Our results of the metal-semiconductor-metal transition in the ZCNSs are robust and may open potential applications in nano-electromechanical devices based on the ZCNSs.
authors.affiliation: Department of Applied Physics, Xi'an Jiaotong University, Xi'an 710049, China. zhangsl@mail.xjtu.edu.cn yzhang520@mail.xjtu.edu.cn and Institute of Solid State Physics, Shanxi Datong University, Datong 037009, China.
authors.forename: Haixia
authors.initials: H
authors.lastname: Dong
authors.affiliation: Department of Applied Physics, Xi'an Jiaotong University, Xi'an 710049, China. zhangsl@mail.xjtu.edu.cn yzhang520@mail.xjtu.edu.cn.
authors.forename: Yang
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: Department of Applied Physics, Xi'an Jiaotong University, Xi'an 710049, China. zhangsl@mail.xjtu.edu.cn yzhang520@mail.xjtu.edu.cn.
authors.forename: Dangqi
authors.initials: D
authors.lastname: Fang
authors.affiliation: Department of Applied Physics, Xi'an Jiaotong University, Xi'an 710049, China. zhangsl@mail.xjtu.edu.cn yzhang520@mail.xjtu.edu.cn.
authors.forename: Baihua
authors.initials: B
authors.lastname: Gong
authors.affiliation: Department of Applied Physics, Xi'an Jiaotong University, Xi'an 710049, China. zhangsl@mail.xjtu.edu.cn yzhang520@mail.xjtu.edu.cn.
authors.forename: Erhu
authors.initials: E
authors.lastname: Zhang
authors.affiliation: Department of Applied Physics, Xi'an Jiaotong University, Xi'an 710049, China. zhangsl@mail.xjtu.edu.cn yzhang520@mail.xjtu.edu.cn.
authors.forename: Shengli
authors.initials: S
authors.lastname: Zhang