Electronic structure of CeRu4Sn6: a density functional plus dynamical mean field theory study

P. Wissgott; K. Held

doi:10.1140/epjb/e2015-60753-5

Electronic structure of CeRu4Sn6: a density functional plus dynamical mean field theory study

Strongly Correlated Electrons 2016-03-23 v1

Authors: P. Wissgott , K. Held

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Abstract

The Kondo system CeRu $_4$ Sn $_6$ shows a strong anisotropy in its electric, optic and magnetic properties. We employ density functional theory plus dynamical mean field theory and show that the predominant Ce- $f$ state has total angular moment $J=5/2$ and $z$ -component $m_J=\pm 1/2$ in agreement with recent X-ray absorption experiments. Even though CeRu $_4$ Sn $_6$ has the direct gap of a Kondo insulator through most of the Brillouin zone it remains weakly metallic. This is because of (i) a band crossing in the $z$ -direction and (ii) a negative indirect gap.

Keywords

electronic structure

Cite

@article{arxiv.1505.02055,
  title  = {Electronic structure of CeRu4Sn6: a density functional plus dynamical mean field theory study},
  author = {P. Wissgott and K. Held},
  journal= {arXiv preprint arXiv:1505.02055},
  year   = {2016}
}

Comments

6 pages, 9 figures

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