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

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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.

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References

  1. G.R. Stewart, Rev. Mod. Phys. 56, 755 (1984)

    Article  ADS  Google Scholar 

  2. P. Coleman, in Handbook of Magnetism and Advanced Magnetic Materials, edited by H. Kronmüller, S. Parkin (John Wiley and Sons, West Sussex, 2007), pp. 95−148

  3. T. Takabatake, F. Teshima, H. Fujii, S. Nishigori, T. Suzuki, T. Fujita, Y. Yamaguchi, J. Sakurai, D. Jaccard, Phys. Rev. B 41, 9607 (1990)

    Article  ADS  Google Scholar 

  4. S.H. Ikeda, K. Miyake, J. Phys. Soc. Jpn 65, 1769 (1996)

    Article  ADS  Google Scholar 

  5. J. Moreno, P. Coleman, Phys. Rev. Lett. 84, 342 (2000)

    Article  ADS  Google Scholar 

  6. T. Yamada, Y. Ono, Phys. Rev. B 85, 165114 (2012)

    Article  ADS  Google Scholar 

  7. M. Kyogaku, Y. Kitaoka, H. Nakamura, K. Asayama, T. Takabatake, F. Teshima, H. Fujii, J. Phys. Soc. Jpn 59, 1728 (1990)

    Article  ADS  Google Scholar 

  8. P. Schlottmann, Phys. Rev. B 46, 998 (1992)

    Article  ADS  Google Scholar 

  9. A. Prokofiev, S. Paschen, Crystal Growth and Stoichiometry of Strongly Correlated Intermetallic Cerium Compounds, in Modern Aspects of Bulk Crystal and Thin Film Preparation, edited by N. Kolesnikov, E. Borisenko (Intech, 2012)

  10. G. Venturini, B. Chafik El Idrissi, J.F. Maréché, B. Malaman, Mater. Res. Bull. 25, 1541 (1990)

    Article  Google Scholar 

  11. I. Das, E.V. Sampathkumaran, Phys. Rev. B 46, 4250 (1992)

    Article  ADS  Google Scholar 

  12. V. Guritanu, P. Wissgott, T. Weig, H. Winkler, J. Sichelschmidt, M. Scheffler, A. Prokofiev, S. Kimura, T. Iizuka, A.M. Strydom, M. Dressel, F. Steglich, K. Held, S. Paschen, Phys. Rev. B 87, 115129 (2013)

    Article  ADS  Google Scholar 

  13. G. Kotliar, S.Y. Savrasov, K. Haule, V.S. Oudovenko, O. Parcollet, C.A. Marianetti, J. Rev. Mod. Phys. 78, 865 (2006)

    Article  ADS  Google Scholar 

  14. K. Held, Adv. Phys. 56, 829 (2007)

    Article  ADS  Google Scholar 

  15. J. Hänel, H. Winkler, M. Ikeda, J. Larrea, V. Martelli, A. Prokofiev, E. Bauer, S. Paschen, J. Electron. Mater. 43, 2440 (2014)

    Article  ADS  Google Scholar 

  16. A. Strydom, Z. Guo, S. Paschen, R. Viennois, F. Steglich, J. Phys. B 359, 293 (2005)

    Article  Google Scholar 

  17. H. Winkler, K.-A. Lorenzer, A. Prokofiev, S. Paschen, J. Phys.: Conf. Ser. 391, 012077 (2012)

    ADS  Google Scholar 

  18. S. Paschen, H. Winkler, T. Nezu, M. Kriegisch, G. Hilscher, J. Custers, A. Prokofiev, A. Strydom, J. Phys.: Conf. Ser. 200, 012156 (2010)

    ADS  Google Scholar 

  19. H. Winkler, Ph.D. thesis, Vienna Unviersity of Technology, 2013

  20. M. Sundermann, F. Strigari, T. Willers, H. Winkler, A. Prokofiev, J.M. Ablett, J.P. Rueff, D. Schmitz, E. Weschke, M. Moretti Sala, A. Al-Zein, A. Tanaka, M.W. Haverkort, L.H. Tjeng, S. Paschen, A. Severing, Sci. Rep. 5, 17937 (2015)

    Article  Google Scholar 

  21. R. Pöttgen, R.-D. Hoffmann, E.V. Sampathkumaran, I. Das, B.D. Mosel, R. Müllmann, J. Solid State Chem. 134, 326 (1997)

    Article  ADS  Google Scholar 

  22. P. Blaha, K. Schwarz, P. Sorantin, S. Trickey, J. Comput. Phys. Commun. 59, 399 (1990)

    Article  ADS  Google Scholar 

  23. H. Winkler, Ph.D. thesis, TU Wien, 2013

  24. N. Marzari, D. Vanderbilt, Phys. Rev. B 56, 12847 (1997)

    Article  ADS  Google Scholar 

  25. J. Kunes, R. Arita, P. Wissgott, A. Toschi, H. Ikeda, K. Held, J. Comput. Phys. Commun. 181, 1888 (2010)

    Article  ADS  MATH  Google Scholar 

  26. V.I. Anisimov, J. Zaanen, O.K. Andersen, Phys. Rev. B 44, 943 (1991)

    Article  ADS  Google Scholar 

  27. J.E. Hirsch, R.M. Fye, Phys. Rev. Lett. 56, 2521 (1986)

    Article  ADS  Google Scholar 

  28. G. Keller, K. Held, V. Eyert, D. Vollhardt, V.I. Anisimov, Phys. Rev. B 70, 205116 (2004)

    Article  ADS  Google Scholar 

  29. A.C. Hewson, The Kondo Problem to Heavy Fermions (Cambridge University Press, Cambridge, 1993)

  30. G. Aeppli, Z. Fisk, Condens. Matter Phys. 16, 155 (1992)

    Google Scholar 

  31. P.S. Riseborough, Adv. Phys. 49, 257 (2000)

    Article  ADS  Google Scholar 

  32. P. Coleman, Heavy Fermions: electrons at the edge of magnetism, in Handbook of Magnetism and Advanced Magnetic Materials, edited by H. Kronmuller, S. Parkin. Fundamentals and Theory (John Wiley and Sons, 2007), Vol. 1, pp. 95−148

  33. T.J. Sato, H. Kadowaki, T. Takabatake, H. Fujii, Y. Isikawa, J. Phys.: Condens. Matter 8, 8183 (1996)

    ADS  Google Scholar 

  34. G.M. Kalvius, T. Takabatake, A. Kratzer, R. Wappling, D.R. Noakes, S.J. Flaschin, F.J. Burghart, R. Kadono, I. Watanabe, A. Brückl, K. Neumaier, K. Andres, K. Kobayashi, G. Nakamoto, H. Fuji, Hyperfine Interactions 104, 157 (1997)

    Article  ADS  Google Scholar 

  35. V.A. Yartys, B. Ouladdiaf, O. Isnard, O.Yu. Khyzhun, K.H.J. Buschow, J. Alloys Compd. 359, 62 (2003)

    Article  Google Scholar 

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  1. Institute of Solid State Physics, TU Wien, 1040, Vienna, Austria

    Philipp Wissgott & Karsten Held

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  1. Philipp Wissgott
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  2. Karsten Held
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Correspondence to Karsten Held.

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Wissgott, P., Held, K. Electronic structure of CeRu4Sn6: a density functional plus dynamical mean field theory study. Eur. Phys. J. B 89, 5 (2016). https://doi.org/10.1140/epjb/e2015-60753-5

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