Structural phase transition in monolayer gold(I) telluride: From a room-temperature topological insulator to an auxetic semiconductor
نویسندگان
چکیده
Structural phase transitions between semiconductors and topological insulators have rich applications in nanoelectronics but are rarely found two-dimensional (2D) materials. In this work, by combining ab initio computations evolutionary structure search, we investigate two stable 2D forms of gold(I) telluride (${\mathrm{Au}}_{2}\mathrm{Te}$) with square symmetry, noted as s(I)- s(II)-${\mathrm{Au}}_{2}\mathrm{Te}$. s(II)-${\mathrm{Au}}_{2}\mathrm{Te}$ is the global minimum a room-temperature insulator. s(I)-${\mathrm{Au}}_{2}\mathrm{Te}$ direct-gap semiconductor high carrier mobilities unusual in-plane negative Poisson's ratio. Both s(I) s(II) phases ultralow Young's modulus, implying flexibility. By applying small tensile strain, can be transformed into s(I)-${\mathrm{Au}}_{2}\mathrm{Te}$. Hence, structural transition from insulator to an auxetic ${\mathrm{Au}}_{2}\mathrm{Te}$, which enables potential phase-change electronic devices. Moreover, elucidate mechanism help phonon spectra group theory analysis.
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ژورنال
عنوان ژورنال: Physical review
سال: 2021
ISSN: ['0556-2813', '1538-4497', '1089-490X']
DOI: https://doi.org/10.1103/physrevb.103.075429