Journal of the Korean Physical Society

Korean Physical Society (한국물리학회)
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Lattice Thermal Conductivity Calculation of Sb2Te3 using Molecular Dynamics Simulations

  • Received : 2018.07.06
  • Accepted : 2018.10.04
  • Published : 2018.11.30
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Abstract

We study lattice thermal conductivity of $Sb_2Te_3$ using molecular dynamics simulations. The interatomic potentials are fitted to reproduce total energy and elastic constants, and phonon properties calculated using the potentials are in reasonable agreement with first-principles calculations and experimental data. Our calculated lattice thermal conductivities of $Sb_2Te_3$ decrease with temperature from 150 K to 500 K. The in-plane lattice thermal conductivity of $Sb_2Te_3$ is higher than cross-plane lattice thermal conductivity of $Sb_2Te_3$, as in the case of $Bi_2Te_3$, which is consistent with the anisotropy of the elastic constants.

Keywords

Acknowledgement

Supported by : National Research Foundation of Korea (NRF), Korea Institute of Science and Technology Information

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