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Electronic and Magnetic Properties of the BaTiO\(_{3}\)/LaMnO\(_{3}\) Interface: a DFT Study

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Abstract

The electronic and magnetic properties of the BaTiO\(_{3}\)/LaMnO\(_{3}\) interface were investigated by means of ab initio calculations within the density functional theory (DFT). An impact of the thickness of the ferroelectric overlayer on the interface properties was analysed through the spin-polarized density of states. It was been shown that the band gap decreases with increasing the thickness of ferroelectric overlayer, approaching zero.

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References

  1. Ohtomo, A., Hwang, H.Y.: Nature 427, 423–426 (2004)

    Article  ADS  Google Scholar 

  2. Pavlenko, N., Kopp, T., Tsymbal, E.Y., Mannhart, J., Sawatzky, G.A.: Phys. Rev. B 86(6), 064431 (2012)

  3. Michaeli, K., Potter, A.C., Lee, P.A.: Phys. Rev. Lett. 108(11), 117003 (2012)

  4. Piyanzina, I.I., Eyert, V., Lysogorskiy, Yu.V., Tayurskii, D.A., Kopp, T.: J. Phys.: Condens. Matter 31(29), 295601 (2019)

  5. Reyren, N., Thiel, S., Caviglia, A.D., Fitting Kourkoutis, L., Hammerl, G., Richter, C., Schneider, C.W., Kopp, T., Retschi, A.S., Jaccard, D., Gabay, M., Muller, D.A., Triscone, J.M., Mannhart, J.: Science 317, 1196 (2007)

  6. Pavlov, D.P., Zagidullin, R.R., Mukhortov, V.M., Kabanov, V.V., Adachi, T., Kawamata, T., Koike, Y., Mamin, R.F.: Phys. Rev. Lett. 122, 237001 (2019)

  7. Pavlov, D.P., Piyanzina, I.I., Muhortov, V.I., Balbashov, A.I., Tauyrskii, D.A., Garifullin, I.A., Mamin, R.F.: JETP Lett. 106, 440–444 (2017)

    Article  ADS  Google Scholar 

  8. Weng, Y., Niu, W., Huang, X., An, M., Dong, Sh.: Phys. Rev. B 103, 214101 (2021)

  9. Kabanov, V.V., Piyanzina, I.I., Lysogorskiy, Yu.V., Tayurskii, D.A., Mamin, R.F.: Mater. Res. Express 7, 055020 (2020)

  10. Hohenberg, P., Kohn, W.: Phys. Rev. 136, B864 (1964)

    Article  ADS  Google Scholar 

  11. Kohn, W., Sham, L.J.: Phys. Rev. 140, A1133 (1965)

    Article  ADS  Google Scholar 

  12. Perdew, J.P., Burke, K., Ernzerhof, M.: Phys. Rev. Lett. 77, 3865 (1996)

    Article  ADS  Google Scholar 

  13. Blöchl, P.E.: Phys. Rev. B 50, 17953 (1994)

    Article  ADS  Google Scholar 

  14. Kresse, G., Furthmüller, J.: Comp. Mat. Sci. 6, 15 (1996)

    Article  Google Scholar 

  15. Kresse, G., Furthmüller, J.: Phys. Rev. B 54, 11169 (1996)

    Article  ADS  Google Scholar 

  16. Kresse, G., Joubert, D.: Phys. Rev. B 59, 1758 (1999)

    Article  ADS  Google Scholar 

  17. MedeA version 3.4; MedeA is a registered trademark of Materials Design, Inc., San Diego, USA

  18. Monkhorst, H.J., Pack, J.D.: Phys. Rev. B 13, 5188 (1976)

    Article  ADS  MathSciNet  Google Scholar 

  19. Piyanzina, I.I., Kopp, T., Lysogosrkiy, Yu.V., Tayurskii, D., Eyert, V.: J. Phys.: Condens. Matter 29, 095501 (2017)

  20. Dudarev, S.L., Botton, G.A., Savrasov, S.Y., Humphreys, C.J., Sutton, A.P.: Phys. Rev. B 57, 1505 (1998)

    Article  ADS  Google Scholar 

  21. Wang, L., Maxisch, T., Ceder, G.: Phys. Rev. B 73, 195107 (2006)

  22. Saitoh, T., Bocquet, A.E., Mizokawa, T., Namatame, H., Fujimori, A., Abbate, M., Takeda, Y., Takano, M.: Phys. Rev. B 51, 20 (1995)

    Article  Google Scholar 

  23. Sawada, H., et al.: Phys. Rev. B 56, 12154 (1997)

    Article  ADS  Google Scholar 

  24. Ciucivara, A., Sahu, B., Kleinman, L.: Phys. Rev. B 77, 092407 (2008)

  25. Landolt Brnstein, Crystal and Solid State Physics, p.67. New Series, Group III, Vol. 16a Springer, Berlin (1981)

  26. Subarao, E.C.: Ferroelectrics 5, 267 (1973)

    Article  Google Scholar 

  27. Shirane, G., Danner, H., Pepinsky, R.: Phys. Rev. 105, 856 (1957)

    Article  ADS  Google Scholar 

  28. Wemple, S.: Phys. Rev. B 2, 2679 (1970)

    Article  ADS  Google Scholar 

Download references

Funding

The reported study was funded by the Russian Scientific Foundation according to research project no. 21-12-00179.

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Correspondence to Irina Piyanzina.

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Piyanzina, I., Mamin, R. Electronic and Magnetic Properties of the BaTiO\(_{3}\)/LaMnO\(_{3}\) Interface: a DFT Study. J Supercond Nov Magn 35, 2225–2229 (2022). https://doi.org/10.1007/s10948-022-06353-y

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  • DOI: https://doi.org/10.1007/s10948-022-06353-y

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