Strain control of vibrational properties of few layer phosphorene

摘要

Using density functional theory techniques, we study lattice vibrational Raman and infrared modes in strained few-layer phosphorene. We find very significant frequency shifts, up to ≈ 100 cm~(-1) in the applied strain range of ±6%, of the Raman activities in both high- and low-frequency region and infrared activities in the low-frequency region. The type of applied strain, that is, armchair and zigzag, selectively affects specific vibrational modes. Combined with high spatial-resolution Raman/infrared scattering experiments, our calculated results can aid understanding of the complicated inhomogeneous strain distributions in few-layer phosphorene or manufacturing of materials with desired electronic properties via strain or layer engineering.