Band structural and absorption characteristics of antimonene/bismuthene monolayer heterojunction calculated by first-principles.

ABSTRACT: The band gap of lateral heterojunctions (LHSs) can be continuously tuned by changing the widths of their components. In this work, Sb/Bi LHSs based on monolayer Sb and Bi atoms with armchair and zigzag interfaces are constructed, respectively. It exhibits an atom's number in planner-dependent tunable band gap and near-infrared range absorption characteristics. They are systematically studied by first-principles calculations. The widths are represented by the number (n) of Sb or Bi atom chains. When n increases from 2 to 8, the bandgaps of armchair Sb_n/Bi_n LHSs decrease from 0.89 to 0.67 eV, and the band gaps of zigzag Sb_n/Bi_n LHSs decrease from 0.92 to 0.76 eV. The partial density of states spectra indicate that the occupied states of the valence

SUBMITTER: Zhan Y 

PROVIDER: S-EPMC9388903 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature