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| Main Authors: | , , , , , |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2407.00661 |
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| _version_ | 1866917786217873408 |
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| author | Wu, Yu Dai, Shengnan Ji, Linxuan Ding, Yimin Yang, Jiong Zhou, Liujiang |
| author_facet | Wu, Yu Dai, Shengnan Ji, Linxuan Ding, Yimin Yang, Jiong Zhou, Liujiang |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2407_00661 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | When is the Four-phonon Effect in Half-Heusler Materials more Pronounced? Wu, Yu Dai, Shengnan Ji, Linxuan Ding, Yimin Yang, Jiong Zhou, Liujiang Materials Science Computational Physics 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. |
| title | When is the Four-phonon Effect in Half-Heusler Materials more Pronounced? |
| topic | Materials Science Computational Physics |
| url | https://arxiv.org/abs/2407.00661 |