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Structural phase transitions between semiconductors and topologicalinsulators have rich applications in nanoelectronics but are rarely found intwo-dimensional (2D) materials. In this work, by combining ab initiocomputations and evolutionary structure search, we investigate two stable 2Dforms of gold(I) telluride (Au$_{2}$Te) with square symmetry, noted as s(I)-and s(II)-Au$_{2}$Te. s(II)-Au$_{2}$Te is the global minimum structure and is aroom-temperature topological insulator. s(I)-Au$_{2}$Te is a direct-gapsemiconductor with high carrier mobilities and unusual in-plane negativePoisson's ratio. Both s(I) and s(II) phases have ultra-low Young's modulus,implying high flexibility. By applying a small tensile strain, s(II)-Au$_{2}$Tecan be transformed into s(I)-Au$_{2}$Te. Hence, a structural phase transitionfrom a room-temperature topological insulator to an auxetic semiconductor isfound in the 2D forms of Au$_{2}$Te, which enables potential applications inphase-change electronic devices. Moreover, we elucidate the mechanism of thephase transition with the help of phonon spectra and group theory analysis.

Structural phase transition in monolayer gold(I) telluride: From a room-temperature topologicalinsulator to an auxetic semiconductor