Group theory analysis of phonons in monolayer chromium trihalides and their Janus structures.

@article{Liu2022GroupTA,
  title={Group theory analysis of phonons in monolayer chromium trihalides and their Janus structures.},
  author={Y C Liu and H. B. Niu and J. B. Lin and Vei Wang},
  journal={Physical chemistry chemical physics : PCCP},
  year={2022}
}
  • Y. LiuH. Niu V. Wang
  • Published 13 April 2022
  • Chemistry
  • Physical chemistry chemical physics : PCCP
A contrastive investigation of the symmetry aspects of phonons in monolayer chromium trihalides and their Janus structures Y3-Cr2-X3 (X, Y = F, Cl, Br, I) was presented within group theory. We classified all phonon vibration modes at the Brillouin-zone center (Γ) into irreducible representations. The infrared and Raman activity of optic phonons, Raman tensors, and the possible polarization assignments of Raman active phonons are further predicted. We clarify the discrepancy concerning the Raman…