Skip to main content
SpringerLink
Log in

Hybrid-improper ferroelectric behavior in Ba3SiO/Ba3GeO oxide antiperovskite superlattices

  • Regular Article
  • Published:
The European Physical Journal B Aims and scope Submit manuscript

Abstract

Here, we present a theoretical study of the hybrid-improper ferroelectric (HIF) behavior at the [001] (Ba3SiO)1/(Ba3GeO)1 superlattices. Then, by means of first-principles calculations, we have investigated the structural and vibrational modes that allows the existence of the trilinear coupling phenomenon in this antiperovskite oxide heterostructure. The latter coupling, leading to a ferroelectric character in this system. Finally, we show the xy biaxial strain influence into the structure and the ferroelectricity, achieving an enhancement of the spontaneous polarization through this control parameter.

Graphical abstract

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. M. Fiebig, Nat. Rev. Mater. 2016, 16046 (2016)

    Article  Google Scholar 

  2. A. Narayan, A. Cano, A.V. Balatsky, N.A. Spaldin, Nat. Mater. 18, 223 2019)

    Article  Google Scholar 

  3. N.A. Spaldin, R. Ramesh, Nat. Mater. 18, 203 (2019)

    Article  Google Scholar 

  4. N. Benedek, C. Fennie, Phys. Rev. Lett. 106, 107204 (2011)

    Article  ADS  Google Scholar 

  5. A.C. Garcia-Castro, W. Ibarra-Hernandez, E. Bousquet, A.H. Romero, Phys. Rev. Lett. 121, 117601 (2018)

    Article  ADS  Google Scholar 

  6. S. Picozzi, Front. Phys. 2, 1 (2014)

    Article  MathSciNet  Google Scholar 

  7. H. Djani, A.C. Garcia-Castro, W.Y. Tong, P. Barone, E. Bousquet, S. Picozzi, P. Ghosez, https://arXiv:1903.01241 (2019)

  8. N.A. Benedek, J.M. Rondinelli, H. Djani, P. Ghosez, P. Lightfoot, Dalton Trans. 44, 10543 (2015)

    Article  Google Scholar 

  9. S.V. Krivovichev, Z. Kristallogr. 223, 109 (2008)

    Google Scholar 

  10. J. Nuss, C. Mühle, K. Hayama, V. Abdolazimi, H. Takagi, Acta Crystallogr. Sect. B 71, 300 (2015)

    Article  Google Scholar 

  11. M. Oudah, A. Ikeda, J.N. Hausmann, S. Yonezawa, T. Fukumoto, S. Kobayashi, M. Sato, Y. Maeno, Nat. Commun. 7, 3 (2016)

    Article  Google Scholar 

  12. Y. Mochizuki, Y. Kumagai, H. Akamatsu, F. Oba, Phys. Rev. Mater. 2, 125004 (2018)

    Article  Google Scholar 

  13. Y. Sun, X.Q. Chen, S. Yunoki, D. Li, Y. Li, Phys. Rev. Lett. 105, 216406 (2010)

    Article  ADS  Google Scholar 

  14. K. Momma, F. Izumi, J. Appl. Crystallogr. 44, 1272 (2011)

    Article  Google Scholar 

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

    Article  ADS  Google Scholar 

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

    Article  ADS  Google Scholar 

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

    Article  ADS  Google Scholar 

  18. J.P. Perdew, A. Ruzsinszky, G.I. Csonka, O.A. Vydrov, G.E. Scuseria, L.A. Constantin, X. Zhou, K. Burke, Phys. Rev. Lett. 100, 136406 (2008)

    Article  ADS  Google Scholar 

  19. G. Kresse, J. Furthmüller, J. Hafner, Europhys. Lett. 32, 729 (1995)

    Article  ADS  Google Scholar 

  20. K. Parlinski, Z. Li, Y. Kawazoe, Phys. Rev. Lett. 78, 4063 (1997)

    Article  ADS  Google Scholar 

  21. X. Gonze, C. Lee, Phys. Rev. B 55, 10355 (1997)

    Article  ADS  Google Scholar 

  22. A. Togo, F. Oba, I. Tanaka, Phys. Rev. B 78, 1 (2008)

    Article  Google Scholar 

  23. D. Vanderbilt, J. Phys. Chem. Solids 61, 147 (2000)

    Article  ADS  Google Scholar 

  24. A.M. Glazer, Acta Crystallogr. Sect. A 31, 756 (1975)

    Article  ADS  Google Scholar 

  25. A.M. Glazer, Acta Crystallogr. Sect. B 28, 3384 (1972)

    Article  Google Scholar 

  26. B. Huang, J.D. Corbett, Z. Anorg. Allg. Chem. 624, 1787 (1998)

    Article  Google Scholar 

  27. A.C. Garcia-Castro, J.H. Quintero, R. Ospina, J. Phys. Chem. Sol. 136, 109126 (2020)

    Article  Google Scholar 

  28. D. Orobengoa, C. Capillas, M.I. Aroyo, J.M. Perez-Mato, J. Appl. Crystallogr. 42, 820 (2009)

    Article  Google Scholar 

  29. J.M. Perez-Mato, D. Orobengoa, M.I. Aroyo, Acta Crystallogr. Sect. A 66, 558 (2010)

    Article  ADS  Google Scholar 

  30. E. Bousquet, M. Dawber, N. Stucki, C. Lichtensteiger, P. Hermet, S. Gariglio, J.M. Triscone, P. Ghosez, Nature 452, 732 (2008)

    Article  ADS  Google Scholar 

  31. R. Cohen, Nature 358, 136 (1992)

    Article  ADS  Google Scholar 

  32. C. Grote, R.F. Berger, J. Phys. Chem. C 119, 22832 (2015)

    Article  Google Scholar 

  33. M.R. Filip, G.E. Eperon, H.J. Snaith, F. Giustino, Nat. Commun. 5, 1 (2014)

    Article  Google Scholar 

  34. C. Ederer, N.A. Spaldin, Phys. Rev. Lett. 95, 257601 (2005)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. School of Physics, cimbios Research Group, Universidad Industrial de Santander, Carrera 27 Calle 9, 680002, Bucaramanga, Colombia

    Andrés Camilo Garcia-Castro & Jorge Hernan Quintero Orozco

  2. School of Physics, ficomaco Research Group, Universidad Industrial de Santander, Carrera 27 Calle 9, 680002, Bucaramanga, Colombia

    Carlos José Paez Gonzalez

Authors
  1. Andrés Camilo Garcia-Castro
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Jorge Hernan Quintero Orozco
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Carlos José Paez Gonzalez
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Andrés Camilo Garcia-Castro.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Garcia-Castro, A.C., Quintero Orozco, J.H. & Paez Gonzalez, C.J. Hybrid-improper ferroelectric behavior in Ba3SiO/Ba3GeO oxide antiperovskite superlattices. Eur. Phys. J. B 92, 203 (2019). https://doi.org/10.1140/epjb/e2019-100175-1

Download citation

  • Received:

  • Revised:

  • Published:

  • DOI: https://doi.org/10.1140/epjb/e2019-100175-1

Keywords

Search

Navigation