Lattice vibrational modes and Raman scattering spectra of strained phosphorene

Strain is prominent in fabricated samples and it also serves as an exploitable tool for engineering their properties. However, quantifying strain and characterizing its spatially inhomogeneous distribution are challenging tasks. Here, we report the lattice vibrational modes and corresponding Raman spectra of strained monolayer black phosphorus (phosphorene) by first-principles simulations. We show that frequencies of vibrational modes of phosphorene and their Raman scattering peaks exhibit substantial and distinct shifts according to the types and size of strain. Combined with high spatial-resolution Raman scattering measurements, our calculated results can quantify arbitrary strain distributions in phosphorene. (C) 2014 AIP Publishing LLC.