Electrical transport properties of topological insulator As2Te3 under high pressure

The electrical transport properties of As2Te3 were studied under high pressure using theoretical and experimental methods. The structural phase transition was observed at around 25 GPa using first-principles calculations, which was reflected in the collapse of the cell volume and the calculation of the enthalpy. The pressure-induced metallization was confirmed at approximately 7 GPa from closed energy bands and density of states, and the resistivity of variable temperature also shown a piece of evidence for metallization at 7.1 GPa. The curves of the electrical parameters at 7 GPa are consistent with the theoretical calculations. In addition, discontinuous changes in carrier parameters were observed at around 15 GPa, which is attributed to the isostructural phase transition of As2Te3. Studying the electrical transport properties of As2Te3 under high pressure, especially its pressure-induced metallization properties, can provide a theoretical basis for its application in storage devices and thermoelectric materials, and help to understand the properties of other A2B3-type compounds under high pressure. [Display omitted]