Vibrational properties and Raman spectra of pristine and fluorinated blue phosphorene

Abstract

Using density functional theory, we investigated the vibrational properties and Raman spectra of pristine blue phosphorene and fluorinated blue phosphorene. We have calculated the Raman tensor and thus the angle-dependent Raman intensity for the Raman active modes A_1g and E_g with laser line (633 nm and 532 nm).