Anisotropic Strain Tunable Near-Infrared Exciton Emission in Phosphorene
Monolayer black phosphorus (phosphorene) exhibits a direct bandgap and strong in-plane anisotropy, making it a promising candidate for near-infrared (NIR) optoelectronic devices. However, the precise modulation of its excitonic emission via anisotropic strain remains insufficiently understood, particularly regarding the contrasting strain responses of phosphorene versus transition metal dichalcogenides (TMDs). Here, we combine experimental characterization with tight-binding (TB) modeling to elucidate the strain-dependent bandgap evolution in phosphorene. Using a four-band TB model, we derive the bandgap at the Γ point as E_g^BP = 4t1 + 2t2 + 4t3 + 2t5, with hopping parameters t1 = -1.220 eV, t2 = 3.665 eV, t3 = -0.205 eV, t4 = -0.105 eV, and t5 = -0.055 eV. Under tensile strain along the zigzag (ZZ) direction, the interatomic distance associated with t1 increases, reducing the magnitude of |t1|. Since t1 is negative, the bandgap increases, contrary to the behavior of monolayer MoS2, where tensile strain decreases the bandgap due to positive hopping parameters t11, t22, and t12. This anisotropic strain response enables selective tuning of NIR exciton emission. Our findings provide a quantitative framework for strain engineering in phosphorene-based NIR devices, highlighting the critical role of hopping parameter signs in determining bandgap modulation.