Electrical transport properties of topological insulator As2Te3 under high pressure

Abstract

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.