1. When is the Four-phonon Effect in Half-Heusler Materials more Pronounced?
- Author
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Wu, Yu, Dai, Shengnan, Ji, Linxuan, Ding, Yimin, Yang, Jiong, and Zhou, Liujiang
- Subjects
Condensed Matter - Materials Science ,Physics - Computational Physics - Abstract
Suppressed three-phonon scattering processes have been considered to be the direct cause of materials exhibiting significant higher-order four-phonon interactions. However, after calculating the phonon-phonon interactions of 128 Half-Heusler materials by high-throughput, we find that the acoustic phonon bandwidth dominates the three-phonon and four-phonon scattering channels and keeps them roughly in a co-increasing or decreasing behavior. The $aao$ and $aaa$ three-phonon scattering channels in Half-Heusler materials are weakly affected by the acoustic-optical gap and acoustic bunched features respectively only when acoustic phonon bandwidths are close. Finally, we found that Half-Heusler materials with smaller acoustic bandwidths tend to have a more pronounced four-phonon effect, although three-phonon scattering may not be significantly suppressed at this time.
- Published
- 2024
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