• 文献标题:   Transitions in electrical behavior of Molecular Devices based on 1-D and 2-D graphene-phagraphene-graphene hybrid heterojunctions
  • 文献类型:   Article
  • 作  者:   DOS SANTOS JCD, FERREIRA DFS, DA SILVA CAB, DEL NERO J
  • 作者关键词:   heterojunction, dft/negf, fet, rtd, transition
  • 出版物名称:   MATERIALS CHEMISTRY PHYSICS
  • ISSN:   0254-0584 EI 1879-3312
  • 通讯作者地址:   Univ Fed Para
  • 被引频次:   0
  • DOI:   10.1016/j.matchemphys.2020.123420
  • 出版年:   2020

▎ 摘  要

This work proposes an electronic transport investigation without spin polarization based on DFT/NEGF for six Graphene-like and PhaGraphene-like heterojunctions including (57575) topological defects as inducers of localized states. We can summarize our findings for two-dimensional (2-D) and uni-dimensional (1-D) heterojunctions as: (i) for zero bias exhibit non-degenerate bands with topological insulator, metal or semiconductor signature depending on the defect distribution; (ii) for devices under bias voltage, the I-V curves and transition voltage spectroscopy (TVS) exhibit: (1) negative differential resistance (NDR) and resonance behavior signing as resonant tunneling diode (RTD) and field effect transistor (FET) type for 2-D and 1-D heterojunctions, respectively; (2) electronic transitions as (2.1) topological insulator-semiconductor, topological insulator-metal, semiconductor-metal and metal-semiconductor transitions confirmed by density of states (DOS) analysis for voltages > 0. The analysis of rectification ratio for asymmetric heterojunctions presents better conductance for reverse bias. Our discoveries make the heterojunctions highly promising in nanoelectronics applications.