Two-dimensional Penta-BP₅ Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties.

ABSTRACT: Two-dimensional (2D) crystals exhibit unique and exceptional properties and show promise for various applications. In this work, we systematically studied the structures of a 2D boronphosphide (BP) monolayer with different stoichiometric ratios (BP_x, x = 1, 2, 3, 4, 5, 6 and 7) and observed that each compound had a stable 2D structure with metallic or semiconducting electronic properties. Surprisingly, for the BP₅ compounds, we discovered a rare penta-graphene-like 2D structure with a tetragonal lattice. This monolayer was a semiconductor with a quasi-direct band gap of 2.68 eV. More importantly, investigation of the strain effect revealed that small uniaxial strain can trigger the band gap of the penta-BP₅ monolayer to transition from a quasi-direct to dir

SUBMITTER: Liu S 

PROVIDER: S-EPMC5445080 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature