Optical Conductivity Measurements of GaTa4Se8 Under High Pressure: Evidence of a Bandwidth-Controlled Insulator-to-Metal Mott Transition

The optical properties of a GaTa4Se8 single crystal are investigated under high pressure. At ambient pressure, the optical conductivity exhibits a charge gap of ≈0.12  eV and a broad midinfrared band at ≈0.55  eV. As pressure is increased, the low energy spectral weight is strongly enhanced and the optical gap is rapidly filled, pointing to an insulator to metal transition around 6 GPa. The overall evolution of the optical conductivity demonstrates that GaTa4Se8 is a Mott insulator which undergoes a bandwidth-controlled Mott metal-insulator transition under pressure, in remarkably good agreement with theory. With the use of our optical data and ab initio band structure calculations, our results were successfully compared to the (U/D, T/D) phase diagram predicted by dynamical mean field theory for strongly correlated systems.