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

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  • Philipp Wissgott

    (Institute of Solid State Physics)

  • Karsten Held

    (Institute of Solid State Physics)

Abstract

The Kondo system CeRu4Sn6 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 = ± 1 / 2 in agreement with recent X-ray absorption experiments. There is also an admixture of m J = ± 3 / 2 which is reduced in favor of m J = ± 1 / 2 with the onset of the Kondo effect. Even though CeRu4Sn6 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.

Suggested Citation

  • Philipp Wissgott & Karsten Held, 2016. "Electronic structure of CeRu4Sn6: a density functional plus dynamical mean field theory study," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 89(1), pages 1-7, January.
    • Handle: RePEc:spr:eurphb:v:89:y:2016:i:1:d:10.1140_epjb_e2015-60753-5
    DOI: 10.1140/epjb/e2015-60753-5
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    Keywords

    Solid State and Materials;

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