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First-principles Study on the Lattice Thermal Conductivity of Janus In2Ge2Te6 Bilayer

  • Wei Ding,
  • Songwen Tian,
  • Yankun Shen,
  • Shijie Yang,
  • Jingze Wang,
  • Ziyang Yuan,
  • Zheng Zhai

摘要

Abstract

Janus In2Ge2Te6 bilayer exhibit the potential for low thermal conductivity due to their complex geometry and large atomic mass contrast. The results demonstrate that the intersection of the low-frequency optical branch and the longitudinal acoustic phonon branch (LA) within the Janus In2Ge2Te6 bilayer structure, combined with a larger average atomic mass, leads to a smaller phonon group velocity, a higher phonon scattering rate, a lower phonon relaxation time, and a stronger anharmonicity. These factors contribute to the lower thermal conductivity of the Janus In2Ge2Te6 bilayer. The Janus In2Ge2Te6 bilayer structure exhibits a maximum and minimum lattice thermal conductivity of about 0.35 and 0.1 W/(m K) at 300 and 1000 K, respectively.