First-principles calculations of terahertz dielectric and thermal properties of 3C-SiC

Jin-Chun Li; Liang-Sheng Li

doi:10.1117/12.2612343

15 February 2022 First-principles calculations of terahertz dielectric and thermal properties of 3C-SiC

Jin-Chun Li, Liang-Sheng Li

Proceedings Volume 12166, Seventh Asia Pacific Conference on Optics Manufacture and 2021 International Forum of Young Scientists on Advanced Optical Manufacturing (APCOM and YSAOM 2021); 121661O (2022) https://doi.org/10.1117/12.2612343
Event: Seventh Asia Pacific Conference on Optics Manufacture and 2021 International Forum of Young Scientists on Advanced Optical Manufacturing (APCOM and YSAOM 2021), 2021, Hong Kong, Hong Kong

Abstract

Using first-principles calculations, the terahertz dielectric and thermal properties of cubic silicon carbide (3C-SiC) are investigated for a wide range of temperature ranging from 0K to 2500K with the density functional perturbation theory (DFPT) and the quasi-harmonic approximation (QHA).

Citation Download Citation

Jin-Chun Li and Liang-Sheng Li "First-principles calculations of terahertz dielectric and thermal properties of 3C-SiC", Proc. SPIE 12166, Seventh Asia Pacific Conference on Optics Manufacture and 2021 International Forum of Young Scientists on Advanced Optical Manufacturing (APCOM and YSAOM 2021), 121661O (15 February 2022); https://doi.org/10.1117/12.2612343

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