• 文献标题:   Band structure and Schottky barrier modulation in multilayer black phosphorene and black phosphorene/graphene heterostructure through out-of-plane strain
  • 文献类型:   Article
  • 作  者:   SHAMEKHI M, GHOBADI N
  • 作者关键词:   black phosphorene, graphene, heterostructure, band structure, schottky barrier, outofplane strain
  • 出版物名称:   PHYSICA BCONDENSED MATTER
  • ISSN:   0921-4526 EI 1873-2135
  • 通讯作者地址:   Univ Zanjan
  • 被引频次:   2
  • DOI:   10.1016/j.physb.2019.411923
  • 出版年:   2020

▎ 摘  要

Density functional theory is utilized to investigate the electrical properties of multilayer black phosphorene and phosphorene/graphene heterostructure under out-of-plane strain. The effects of the number of layers and stacking order of layers on the band structure are studied. The band gap of phosphorene is inversely proportional to the number of layers, varying from 0.93 eV for single-layer to 0.15 eV for five-layer phosphorene. The results show that the direct band gap of phosphorene changes to indirect and a semiconductor to metal transition occurs in critical out-of-plane compressive strain level of 10.5%, 11% and 9% for AA, AB and AC stacked bilayer phosphorene, respectively. The critical strain depends on the band gap value and is reduced in multilayer structures. The heterostructure exhibits the characteristics of a p-type Schottky barrier which strongly depends on the strain. The p-type to n-type Schottky barrier transition occurs at the out-of-plane tensile strain of 8.5%.