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Rattling Phonon Modes in Quadruple Perovskites

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Rattling phonon modes are known to be the origin of various anomalous physical properties such as superconductivity, suppression of thermal conductivity, enhancement of specific heat etc. By means of DFT + \(U\) calculations we directly show the presence of the rattling mode in the quadruple perovskites CuCu3V4O12 and CuCu3Fe2Re2O12 and argue that this might appear in others as well. It is demonstrated that Cu ions at \(A\) sites vibrate in the center of the icosahedral oxygen O12 cages and the corresponding potential has a complicated form with many local minima.

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  1. V. Yu. Irkhin, M. I. Katsnelson, and A. V. Trefilov, J. Exp. Theor. Phys. 78, 936 (1994).

    ADS  Google Scholar 

  2. A. P. Menushenkov, A. V. Kuznetsova, R. V. Chernikov, A. A. Ivanov, V. V. Sidorov, and K. V. Klementiev, J. Surf. Invest.: X-ray, Synchrotron Neutron Tech. 7, 407 (2013).

    Article  Google Scholar 

  3. Y. Akizuki, I. Yamada, K. Fujita, K. Taga, T. Kawakami, M. Mizumaki, and K. Tanaka, Angew. Chem. Int. Ed. 54, 10870 (2015).

    Article  Google Scholar 

  4. V. Yu. Irkhin, M. I. Katsnelson, and A. V. Trefilov, JETP Lett. 53, 255 (1991).

    ADS  Google Scholar 

  5. A. P. Menushenkov, R. V. Chernikov, A. A. Ivanov, V. V. Sidorov, and K. V. Klementiev, J. Phys.: Conf. Ser. 190, 012093 (2009).

  6. A. P. Menushenkov, K. V. Klement’ev, P. V. Konarev, and A. A. Meshkov, JETP Lett. 67, 1034 (1998).

    Article  ADS  Google Scholar 

  7. A. R. Bishop, D. Mihailovic, and J. Mustre De Leon, J. Phys.: Condens. Mater 15, L169 (2003).

    ADS  Google Scholar 

  8. A. Roy and D. Vanderbilt, Phys. Rev. B 83, 134116 (2011).

  9. D. Caplin, G. Grüner, and J. B. Dunlop, Phys. Rev. Lett. 30, 1138 (1973).

    Article  ADS  Google Scholar 

  10. B. Eisenmann, H. Schafer, and R. Zagler, J. Less-Common Met. 118, 43 (1986).

    Article  Google Scholar 

  11. N. Sluchanko, A. Bogach, N. Bolotina, V. Glushkov, S. Demishev, A. Dudka, V. Krasnorussky, O. Khrykina, K. Krasikov, V. Mironov, V. B. Filipov, and N. Shitsevalova, Phys. Rev. B 97, 035150 (2018).

  12. D. J. Braun and W. Jeitschko, J. Less-Common Met. 72, 147 (1980).

    Article  Google Scholar 

  13. J. Yamaura, S. Yonezawa, Y. Muraoka, and Z. Hiroi, J. Solid State Chem. 179, 336 (2006).

    Article  ADS  Google Scholar 

  14. H. Hasegawa, Phys. Rev. E 86, 061104 (2012).

  15. M. Brihwiler, S. M. Kazakov, J. Karpinski, and B. Batlogg, Phys. Rev. B 73, 094518 (2006).

  16. F. M. Grosche, H. Q. Yuan, W. Carrillo-Cabrera, S. Paschen, C. Langhammer, F. Kromer, G. Sparn, M. Baenitz, Y. Grin, and F. Steglich, Phys. Rev. Lett. 87, 247003 (2001).

  17. E. D. Bauer, N. A. Frederick, P.-C. Ho, V. S. Zapf, and M. B. Maple, Phys. Rev. B 65, 100506(R) (2002).

  18. M. K. Jana, K. Pal, U V. Waghmare, and K. Biswas, Angew. Chem. Int. Ed. 55, 7792 (2016).

    Article  Google Scholar 

  19. C. Chang and L.-D. Zhao, Mater. Today Phys. 4, 50 (2018).

    Article  Google Scholar 

  20. Y. Nagao, J. Yamaura, H. Ogusu, Y. Okamoto, and Z. Hiroi, J. Phys. Soc. Jpn. 78, 064702 (2009).

  21. A. I. Liechtenstein, V. I. Anisimov, and J. Zaanen, Phys. Rev. B 52, R5467 (1995).

    Article  ADS  Google Scholar 

  22. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).

    Article  ADS  Google Scholar 

  23. Y. Long et al., to be published.

  24. K. V. Zakharov, E. A. Zvereva, P. S. Berdonosov, E. S. Kuznetsova, V. A. Dolgikh, Z. V. Pchelkina, S. V. Streltsov, O. S. Volkova, and A. N. Vasiliev, Phys. Rev. B 90, 214417(R) (2014).

  25. I. A. Nekrasov, K. Held, G. Keller, D. E. Kondakov, Th. Pruschke, M. Kollar, O. K. Andersen, V. I. Anisimov, and D. Vollhardt, Phys. Rev. B 73, 155112 (2006).

  26. Z. V. Pchelkina and S. V. Streltsov, Phys. Rev. B 88, 054424 (2013).

  27. L. S. Taran, V. Yu. Elfimova, and S. V. Streltsov, JETP Lett. 117, 606 (2023).

    Article  ADS  Google Scholar 

  28. S. Mehmood and Z. Ali, Mater. Chem. Phys. 282, 125915 (2022).

  29. R. D. Shannon, Acta Crystallogr., A 32, 751 (1976).

    Article  ADS  Google Scholar 

  30. C. Ho, W. M. Yuhasz, N. P. Butch, N. A. Frederick, T. A. Sayles, J. R. Jeffries, M. B. Maple, J. B. Betts, A. H. Lacerda, P. Rogl, and G. Giester, Phys. Rev. B 72, 094410 (2005).

  31. S. Sanada, Y. Aoki, H. Aoki, A. Tsuchiya, D. Kikuchi, H. Sugawara, and H. Sato, J. Phys. Soc. Jpn. 74, 246 (2005).

    Article  ADS  Google Scholar 

  32. E. Bauer, St. Berger, Ch. Paul, H. Michor, A. Grytsiv, and P. Rogl, Phys. B (Amsterdam, Neth.) 328, 49 (2003).

  33. R. E. Baumbach and M. B. Maple, Filled Skutterudites: Magnetic and Electrical Transport Properties in Encyclopedia of Materials: Science and Technology (Elsevier, Amsterdam, 2010), p. 1.

    Google Scholar 

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This work was supported by the Russian Science Foundation (project no. 23-42-00069) and by the National Natural Science Foundation of China (grant no. 12261131499).

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Correspondence to S. V. Streltsov.

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Pchelkina, Z.V., Komleva, E.V., Irkhin, V.Y. et al. Rattling Phonon Modes in Quadruple Perovskites. Jetp Lett. 118, 738–741 (2023).

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