Influence of pressure on the stability, electronic properties, and elastic properties of TaC

Zhongzheng Guo

doi:10.1117/12.3016859

15 January 2024 Influence of pressure on the stability, electronic properties, and elastic properties of TaC

Zhongzheng Guo

Proceedings Volume 12983, Second International Conference on Electrical, Electronics, and Information Engineering (EEIE 2023); 1298306 (2024) https://doi.org/10.1117/12.3016859
Event: Second International Conference on Electrical, Electronics, and Information Engineering (EEIE 2023), 2023, Wuhan, China

Abstract

In this study, the influence of pressure on the structures, electronic and anisotropy of TaC have been revealed by first-principles calculation. The results demonstrate that the pressure does not cause phase transition and the stability of the phase decreases with increasing pressure. The TDOS of TaC have no abrupt change under press and each phase remains stable within the pressure range of 0~80GPa and no structural phase change occurs. The mechanical properties of Rs-TaC and NiAs-TaC are greatly affected by pressure, while that on ZB-TaC is relatively smaller.

(2024) Published by SPIE. Downloading of the abstract is permitted for personal use only.

Citation Download Citation

Zhongzheng Guo "Influence of pressure on the stability, electronic properties, and elastic properties of TaC", Proc. SPIE 12983, Second International Conference on Electrical, Electronics, and Information Engineering (EEIE 2023), 1298306 (15 January 2024); https://doi.org/10.1117/12.3016859

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