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The Effect of Model Cluster Expansion on the Results of Microscopic Description of the Properties of KDP type H-Bonded Ferroelectrics

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Abstract

The results of model cluster expansion for qualitative description of thermodynamics of a structural phase transition and other properties and for elucidation of the effect of domain boundaries were analyzed within the framework of the Ising model in the single-domain cluster approximation with independent quantum chemical determination of all required pseudospin Hamiltonian parameters. For a number of dimeric model clusters, it was shown that their application for the KDP/DKDP crystals in the first case is of low use. The key result about fundamental changes in the electronic spectrum of the H-bonded subsystem in all studied dimeric clusters obtained by various calculations methods can be used to map out a plan for modeling a more realistic structure of domain boundaries with subsequent analysis of the obtained data by different statistical methods.

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REFERENCES

  1. R. Kubo, Statistical Mechanics (North-Holland, 1965; Mir, Moscow, 1967).

  2. R. J. Baxter, Exactly Solved Models in Statistical Mechanics (Academic Press (Academic Press, London, 1982; Mir, Moscow, 1985).

  3. D. Ch. Mattis, The Theory of Magnetism (Harper and Row, New York, 1965; Mir, Moscow, 1967).

  4. A. M. Glass and M. E. Lines, Principles and Applications of Ferroelectrics and Related Materials (Clarendon, 1979; Mir, Moscow, 1981).

  5. V. G. Vaks, Introduction to Microscopic Theory of Ferroelectrics (Fizmatlit, Moscow, 1973) [in Russian].

    Google Scholar 

  6. V. G. Vaks and V. I. Zinenko, ZhETF, 64, 650 (1973).

    CAS  Google Scholar 

  7. R. Blinc and S. Svetina, Phys. Rev. 147, 430 (1966).

    Article  CAS  Google Scholar 

  8. R. Blinc, Soft Modes in Ferroelectrics and Antiferroelectrics (Elsevier North-Holland, 1974; Mir, Moscow, 1975).

  9. B. A. Strukov and A. P. Levanyuk, Physical Bases of Ferroelectric Phenomena in Crystals (Nauka, Moscow, 1983) [in Russian].

    Google Scholar 

  10. A. A. Levin and S. P. Dolin, J. Mol. Struct. 552, 39 (2000).

    Article  CAS  Google Scholar 

  11. S. P. Dolin, T. Yu. Mikhailova, and A. A. Levin, Int. J. Quantum Chem. 107, 10165 (2007).

    Article  Google Scholar 

  12. S. P. Dolin, T. Yu. Mikhailova, N. N. Breslavskaya, et al., Int. J. Quantum Chem. 116, 202 (2016).

    Article  CAS  Google Scholar 

  13. S. P. Dolin, T. Yu. Mikhailova, N. N. Breslavskaya, et al., Int. J. Quantum Chem. 110, 77 (2010).

    Article  CAS  Google Scholar 

  14. A. S. Sidorkin, Domain Structure in Ferroelectrics and Related Materials (Fizmatlit, Moscow, 2000) [in Russian].

    Google Scholar 

  15. A. S. Sidorkin, Fiz. Tverd. Tela 31, 293 (1989).

    Google Scholar 

  16. S. P. Dolin, T. Yu. Mikhailova, and N. N. Breslavskaya, Izv. Akad. Nauk, Ser. Fiz., No. 3, 327 (2018).

  17. T. Yu. Mikhaylova, N. N. Breslavskaya, and S. P. Dolin, Russ. J. Inorg. Chem. 62, 935 (2017). https://doi.org/10.1134/S003602361707004X

    Article  Google Scholar 

  18. T. Yu. Mikhaylova, N. N. Breslavskaya, and S. P. Dolin, Russ. J. Inorg.Chem. 63, 61 (2018). https://doi.org/10.1134/S0036023618010060

    Article  Google Scholar 

  19. T. Yu. Mikhaylova, N. N. Breslavskaya, and S. P. Dolin, Russ. J. Inorg. Chem. 65, 76 (2020). https://doi.org/10.1134/S0036023620010076

    Article  Google Scholar 

  20. R. J. Nelmes, Z. Tun, and W. F. Kuhs, Ferroelectrics 71, 125 (1987).

    Article  CAS  Google Scholar 

  21. E. Z. Meilikhov and R. M. Farzetdinova, Phys. Rew. E 71, 046111 (2005).

    Article  CAS  Google Scholar 

  22. E. Z. Meilikhov and R. M. Farzetdinova, e-Print arXiv: Cond-mat/0505502.

  23. E. Z. Meilikhov, Russian Science (Oktopus, Moscow, 2006) [in Russian].

    Google Scholar 

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Funding

The study was supported by the Russia Foundation for Basic Research (project No. 19-03-00443) and was partly performed within the state assignment of the Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, in the field of fundamental research (No. 44.2).

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Authors and Affiliations

  1. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 119991, Moscow, Russia

    S. P. Dolin, T. Yu. Mikhailova & N. N. Breslavskaya

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  1. S. P. Dolin
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  2. T. Yu. Mikhailova
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  3. N. N. Breslavskaya
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Correspondence to S. P. Dolin.

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The authors declare that they have no conflict of interest.

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Translated by Z. Svitanko

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Dolin, S.P., Mikhailova, T.Y. & Breslavskaya, N.N. The Effect of Model Cluster Expansion on the Results of Microscopic Description of the Properties of KDP type H-Bonded Ferroelectrics. Russ. J. Inorg. Chem. 65, 540–545 (2020). https://doi.org/10.1134/S0036023620040221

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