Search and first-principles study

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

Application of pressure is known to be an effective tool for tuning structural and electronic properties of transition metal dichalcogenides.

Pressure-induced isostructural electronic topological transitions in 2H-MoTe2: x-ray diffraction and first-principles study- Publications

Synchrotron x-ray diffraction measurements on powder 2H-MoTe2 (P63/mmc) up to ~46 GPa have been performed along with first-principles based density functional theoretical analysis to probe the isostructural transition in low pressure regime and two electronic topological transitions (ETT) of Lifshitz-type in high pressure regime.