Electrical transport properties of ZrS2 under high pressure

The investigation of the electrical transport properties of ZrS2 is conducted up to 30.7 GPa using first-principles calculations and electrical experimental methods. The electrical parameters of ZrS2 are investigated under high pressure conditions using the thin film integrated microcircuit technology on a diamond anvil cell. The structural phase transitions occur at approximately 2.0 GPa and 6.0 GPa, as evidenced by changes in the energy band structure and discontinuities in electrical parameters. At around 12.3 GPa, the pressure-induced metallization is observed by temperature-induced resistivity and the closing of the band gap. The sudden decrease in resistivity can be attributed to the combined contribution of an increase in carrier concentration and mobility. Similarly, the abrupt decrease in Hall coefficient is attributed to the increase in carrier concentration.