English

When is the Four-phonon Effect in Half-Heusler Materials more Pronounced?

Materials Science 2024-09-26 v1 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 aaoaao and aaaaaa 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.

Keywords

Cite

@article{arxiv.2407.00661,
  title  = {When is the Four-phonon Effect in Half-Heusler Materials more Pronounced?},
  author = {Yu Wu and Shengnan Dai and Linxuan Ji and Yimin Ding and Jiong Yang and Liujiang Zhou},
  journal= {arXiv preprint arXiv:2407.00661},
  year   = {2024}
}