Skip to main content
SpringerLink
Log in

Ab Initio calculation of elastic and electromechanical constants of langasite family crystals

  • Physical Properties of Crystals
  • Published:
Crystallography Reports Aims and scope Submit manuscript

Abstract

Elastic and electromechanical (piezoelectric) constants for six langasite family crystals Ca3TaGa3Si2O14, Sr3TaGa3Si2O14, Ba3TaGa3Si2O14, La3Ta0.5Ga5.5O14, La3Nb0.5Ga5.5O14, La3Ga5SiO14 are calculated within the density-functional perturbation theory.

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. I. A. Andreev, Tech. Phys. 76(6), 758 (2006).

    Article  Google Scholar 

  2. B. V. Mill and Yu. V. Pisarevsky, Proc. 2000 IEEE/EIA Intern. Frequency Control Symp., Kansas City, Missouru, USA, p. 133.

  3. B. K. Vainshtein, Modern Crystallography (Nauka, Moscow, 1979), Vol. 1 [in Russian].

    Google Scholar 

  4. T. Iwataki, H. Oshato, K. Tanaka, et al., J. Eur. Ceram. Soc. 21, 1409 (2001).

    Article  Google Scholar 

  5. N. Araki, H. Oshato, K. Kakimoto, et al., J. Eur. Ceram. Soc. 27, 4099 (2007).

    Article  Google Scholar 

  6. P. Hohenberg and W. Kohn, Phys. Rev. B 136, 864 (1964).

    Article  MathSciNet  ADS  Google Scholar 

  7. W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965).

    MathSciNet  ADS  Google Scholar 

  8. S. Baroni, P. Giannozzi, and A. Testa, Phys. Rev. Lett. 58, 1861 (1987).

    Article  ADS  Google Scholar 

  9. X. Gonze, Phys. Rev. B 52, 1086 (2005).

    Google Scholar 

  10. J. Chen, Y. Zheng, H. Kong, and E. Shi, Appl. Phys. Lett. 89, 012901 (2006).

    Article  ADS  Google Scholar 

  11. J. Xin, Y. Zheng, H. Kong, and E. Shi, Appl. Phys. Lett. 93, 252901 (2008).

    Article  ADS  Google Scholar 

  12. X. Wu, D. Vanderbilt, and D. R. Hamann, Phys. Rev. B 72, 035105 (2005).

    Article  ADS  Google Scholar 

  13. X. Gonze, J.-M. Beuken, R. Caracas, et al. Comput. Mater. Sci. 25, 478 (2002); http://www.abinit.org

    Article  Google Scholar 

  14. N. Troullier and J. L. Martins, Solid State Commun. 74, 613 (1990).

    Article  ADS  Google Scholar 

  15. S. Goedecker, M. Teter, and J. Huetter, Phys. Rev. B 54, 1703 (1996).

    Article  ADS  Google Scholar 

  16. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).

    Article  MathSciNet  ADS  Google Scholar 

  17. A. Dudka, J. Appl. Crystallogr. 43, 1440 (2010).

    Article  Google Scholar 

  18. A. P. Dudka and V. I. Simonov, Crystallogr. Rep. 56(6), 980 (2011).

    Article  ADS  Google Scholar 

  19. X. Shi, D. Yuan, X. Yin, et al., Solid State Commun. 142, 173 (2007).

    Article  ADS  Google Scholar 

  20. F. P. Yu, D. R. Yuan, S. J. Zhang, et al., J. Phys. D 42, 085112 (2009).

    Article  ADS  Google Scholar 

  21. R. C. Smythe, Proc. IEEE Freq. Con. Symp. 761 (1998).

Download references

Author information

Authors and Affiliations

  1. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninskii pr. 59, Moscow, 119333, Russia

    A. P. Dudka

Authors
  1. A. P. Dudka
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to A. P. Dudka.

Additional information

Original Russian Text © A.P. Dudka, 2012, published in Kristallografiya, 2012, Vol. 57, No. 1, pp. 138–140.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Dudka, A.P. Ab Initio calculation of elastic and electromechanical constants of langasite family crystals. Crystallogr. Rep. 57, 131–133 (2012). https://doi.org/10.1134/S106377451106006X

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S106377451106006X

Keywords

Search

Navigation