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

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.

6 pages, 9 figures

References in corpus (2)

• CeRu${}_4$Sn${}_6$: a strongly correlated material with nontrivial topology
• Dynamical mean-field theory for the anisotropic Kondo semiconductor: Temperature and magnetic field dependence

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