English

Band symmetries of mixed-valence topological insulator: SmB6

Strongly Correlated Electrons 2015-02-04 v1

Abstract

We have investigated the band structure and the band symmetry of mixed-valence insulator SmB6_{6} systematically within the density functional theory (DFT). We have analyzed the symmetries and characters of Sm 4f4f and 5d5d bands near the Fermi level (EFE_F) in terms of the non-relativistic real cubic bases as well as the relativistic complex bases incorporating the spin-orbit coupling and the cubic crystal field. Further, we have found that the semi-core band located at 15\sim 15 eV below EFE_F has the mixed parity and thereby affects the parity eigenvalues of the special k{\bf k}-points considerably. We have discussed the possible surface states and topological class of SmB6_{6}, based on the bulk parity tables.

Keywords

Cite

@article{arxiv.1312.5898,
  title  = {Band symmetries of mixed-valence topological insulator: SmB6},
  author = {Chang-Jong Kang and Junwon Kim and Kyoo Kim and J. -S. Kang and J. D. Denlinger and B. I. Min},
  journal= {arXiv preprint arXiv:1312.5898},
  year   = {2015}
}

Comments

6 pages, 8 figures, 1 table