• 文献标题:   Polarization-induced switching effect in graphene nanoribbon edge-defect junction
  • 文献类型:   Article
  • 作  者:   YIN G, LIANG YY, JIANG F, CHEN H, WANG P, NOTE R, MIZUSEKI H, KAWAZOE Y
  • 作者关键词:   ab initio calculation, band structure, density functional theory, electrode, elemental semiconductor, graphene, green s function method, nanostructured material, polarisation, switching, tightbinding calculation, tunnelling
  • 出版物名称:   JOURNAL OF CHEMICAL PHYSICS
  • ISSN:   0021-9606
  • 通讯作者地址:   Fudan Univ
  • 被引频次:   9
  • DOI:   10.1063/1.3273312
  • 出版年:   2009

▎ 摘  要

With nonequilibrium Green's function approach combined with density functional theory, we perform an ab initio calculation to investigate transport properties of graphene nanoribbon (GNR) junctions self-consistently. Tight-binding approximation is applied to model the zigzag (ZGNR) electrodes, and its validity is confirmed in comparison to the GAUSSIAN03 periodic boundary condition calculation result of the same system. The origin of abnormal jump points usually appearing in the transmission spectrum is explained with the detailed tight-binding ZGNR band structure. Transport property of an edge-defect ZGNR junction is investigated, and the tunable tunneling current can be sensitively controlled by transverse electric fields.