• 文献标题:   First-principles simulations of a graphene-based field-effect transistor
  • 文献类型:   Article
  • 作  者:   WANG YP, CHENG HP
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Univ Florida
  • 被引频次:   13
  • DOI:   10.1103/PhysRevB.91.245307
  • 出版年:   2015

▎ 摘  要

We improvise an approach to carry out first-principles simulations of graphene-based vertical field-effect tunneling transistors that consist of a graphene vertical bar h-BN vertical bar graphene multilayer structure. Within the density functional theory framework, we exploit the effective screeningmedium (ESM) method to properly treat boundary conditions for electrostatic potentials and investigate the effect of gate voltage. The distribution of free carriers and the band structure of both top and bottom graphene layers are calculated self-consistently. The dielectric properties of h-BN thin films sandwiched between graphene layers are computed layer-by-layer following the theory of microscopic permittivity. We find that the permittivities of BN layers are very close to that of crystalline h-BN. The effect of interface with graphene on the dielectric properties of h-BN is weak according to an analysis on the interface charge redistribution.