Pressure-induced electronic and isostructural phase transitions in PdPS: Raman, x-ray, and first-principles study

Application of pressure is known to be an effective tool for tuning structural and electronic properties of transition metal dichalcogenides. In this work we present evolution of PdPS with pressure using Raman spectroscopy and synchrotron x-ray diffraction up to 26 GPa, complemented with first-principles theoretical analysis of PdPS under pressure up to 36 GPa. Raman spectra reveal changes in the pressure derivatives of Raman frequencies at P ~ 2, 11, and 21 GPa, suggesting three isostructural electronic phase transitions in PdPS.