VIBRATIONAL PROPERTIES OF PHOSPHORENE UNDER HIGH PRESSURE

In this study, few layer phosphorene was subjected to high pressure using a Diamond Anvil Cell (DAC) and its vibrational properties were studied via in-situ Raman spectroscopy. Systematic shifting in the Raman frequency of A^1_g, B_2g, and A²_g modes were observed and theoretical calculations were performed to understand the relationship between the strain and the electronic/phononic band structure. The results from computational calculations carried out by employing the density functional theory (DFT) framework, as implemented in the Vienna Ab-initio Simulation Package (VASP) agree well with the experimental data. The results can enable rational engineering of strain towards additional functionalities and device applications of phosphorene and few-layer black phosphorous.