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Unveiling phonon frequency-dependent mechanism of heat transport across stacking fault in silicon carbide |
| Fu Wang(王甫)1, Yandong Sun(孙彦东)2, Yu Zou(邹宇)1, Ben Xu(徐贲)2, and Baoqin Fu(付宝勤)1,† |
1 Key Laboratory of Radiation Physics and Technology of the Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China;
2 Graduate School, China Academy of Engineering Physics, Beijing 100193, China |
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Abstract Stacking faults (SFs) are often present in silicon carbide (SiC) and affect its thermal and heat-transport properties. However, it is unclear how SFs influence thermal transport. Using non-equilibrium molecular dynamics and lattice dynamics simulations, we studied phonon transport in SiC materials with an SF. Compared to perfect SiC materials, the SF can reduce thermal conductivity. This is caused by the additional interface thermal resistance (ITR) of SF, which is difficult to capture by the previous phenomenological models. By analyzing the spectral heat flux, we find that SF reduces the contribution of low-frequency (7.5 THz-12 THz) phonons to the heat flux, which can be attributed to SF reducing the phonon lifetime and group velocity, especially in the low-frequency range. The SF hinders phonon transport and results in an effective interface thermal resistance around the SF. Our results provide insight into the microscopic mechanism of the effect of defects on heat transport and have guiding significance for the regulation of the thermal conductivity of materials.
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Received: 26 March 2023
Revised: 02 June 2023
Accepted manuscript online: 20 June 2023
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PACS:
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63.20.D-
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(Phonon states and bands, normal modes, and phonon dispersion)
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61.72.Nn
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(Stacking faults and other planar or extended defects)
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51.20.+d
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(Viscosity, diffusion, and thermal conductivity)
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| Fund: roject supported by Sichuan Science and Technology Program (Grant No. 2023NSFSC0044), the National Natural Science Foundation of China (Grant No. 51501119), and the Fundamental Research Funds for the Central Universities. The authors acknowledge that this study was also partially supported by the High-Performance Computing Center at Sichuan University. |
Corresponding Authors:
Baoqin Fu
E-mail: bqfu@scu.edu.cn
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Cite this article:
Fu Wang(王甫), Yandong Sun(孙彦东), Yu Zou(邹宇), Ben Xu(徐贲), and Baoqin Fu(付宝勤) Unveiling phonon frequency-dependent mechanism of heat transport across stacking fault in silicon carbide 2023 Chin. Phys. B 32 096301
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