Raman Activity of Multilayer Phosphorene under Strain.

ABSTRACT: Using computational tools, we study the behavior of activities of lattice vibrational Raman modes in few-layered phosphorene of up to four layers subjected to a uniaxial strain of -2 to +6% applied in the armchair and zigzag directions. We study both high- and low-frequency modes and find very appreciable frequency shifts in response to the applied strain of up to ≈20 cm-1. The Raman activities are characterized by Ag 2/Ag 1 activity ratios, which provide very meaningful characteristics of functionalization via layer- and strain-engineering. The ratios exhibit a pronounced vibrational anisotropy, namely a linear increase with the applied armchair strain and a highly nonlinear behavior with a strong drop of the ratio with the strain applied along the zigzag direction. For the low-frequency

SUBMITTER: Tokar K 

PROVIDER: S-EPMC6941176 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature