• 文献标题:   Switching Behavior of Carbon Chains Bridging Graphene Nanoribbons: Effects of Uniaxial Strain
  • 文献类型:   Article
  • 作  者:   AKDIM B, PACHTERT R
  • 作者关键词:   density functional theory, nonequilibrium green s function, electron transport, carbon chain, electrical switching, graphene nanoribbon
  • 出版物名称:   ACS NANO
  • ISSN:   1936-0851
  • 通讯作者地址:   USAF
  • 被引频次:   45
  • DOI:   10.1021/nn102403j
  • 出版年:   2011

▎ 摘  要

Recently, several experiments demonstrated the stability of chain-like carbon nanowires bridged between graphene nanoribbons, paving the way for potential applications in nanodevices. On the basis of density functional tight-binding calculations, we demonstrated switching for chains terminated with a five-membered ring under an applied strain, serving as a model for morphological changes in,realistic materials: Electron transport calculations showed an increase of up to 100% in the output current, achieved at reverse bias voltage of -2 V and an applied strain of just 1.5%. Structural analysis suggested that the switching Is driven by conformational changes, where in our case is triggered by the formation and annihilation Of a five-membered ring at the interface Of the chain-graphene edge. In addition, we showed that a five-membered ring can easily be formed at the Interface under a source-drain bias or through a gate voltage. This mechanism can serve as an,explanation of experimentally observed conductance for the materials.