A phonon irreducible representations calculator
Materials Science
2022-01-31 v2
Abstract
The irreducible representation of band structure is important for physical properties. Based on phonopy and recently developed SpaceGroupIrep package, we developed a package PhononIrep, which can get the band irreducible representation for arbitrary point at first-principles level. As an application, we for the first time predict the cubic crossing Dirac point can exist in conventional crystal phonon systems XY (X=Ti, Nb, Ta, Y=Au, Sb). We hope this package will facilitate phonon research in the future.
Cite
@article{arxiv.2201.11350,
title = {A phonon irreducible representations calculator},
author = {Zeying Zhang and Zhi-Ming Yu and Gui-Bin Liu and Yugui Yao},
journal= {arXiv preprint arXiv:2201.11350},
year = {2022}
}
Comments
6 pages, 3 figures