Skip to main content
Log in

A comparative study on pyrochlore phase formation in La2Zr2O7 in microscopic and macroscopic scale

  • Published:
Journal of Radioanalytical and Nuclear Chemistry Aims and scope Submit manuscript

Abstract

Atomic scale study has been carried out to probe the pyrochlore phase formation in local scale and compare it with the long range ordering. Lanthanum zirconate (La2Zr2O7) pyrochlore was synthesized by wet chemistry and characterized by X-ray diffraction to study the long range ordering. Time Differential Perturbed γ-γ Angular Correlation (TDPAC) Spectroscopy was performed to identify the pyrochlore phase formation in local scale. Electron paramagnetic resonance and Photo-luminescence spectroscopic studies were used to identify the defects in local scale. Role of annealing and defects in nucleation of pyrochlore phase has been explored in the present study. An early identification of pyrochlore phase was successfully done by TDPAC spectroscopy.

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

Access this article

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

Instant access to the full article PDF.

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6

Similar content being viewed by others

References

  1. Subramanian MA, Aravamudan G, Rao GS (1983) Oxide pyrochlores—a review. Prog Solid State Chem 15(2):55–143

    Article  CAS  Google Scholar 

  2. Mandal BP, Tyagi AK (2007) Preparation and high temperature-XRD studies on a pyrochlore series with the general composition Gd2−xNdxZr2O7. J Alloy Compd 437:260–263

    Article  CAS  Google Scholar 

  3. Cao XQ, Vassen R, Stoever D (2004) Ceramic materials for thermal barrier coatings. J Eur Ceram Soc 24:1–10

    Article  CAS  Google Scholar 

  4. McCarthy GJ, White WB, Roy R, Scheetz BE, Komarzeni S, Smith DS, Roy DM (1978) Interactions between nuclear waste and surrounding rock. Nature 273(1978):216–217

    Article  CAS  Google Scholar 

  5. Ringwood AE, Kesson SE, Ware NG, Hibberson W (1979) A Major Immobilisation of high level nuclear reactor wastes in SYNROC. Nature 278:219–223

    Article  CAS  Google Scholar 

  6. Anantharaman AP, Dasari HP (2021) Potential of pyrochlore structure materials in solid oxide fuel cell applications. Ceram Int 47(4):4367–4388

    Article  CAS  Google Scholar 

  7. Xiao HY, Zhang FX, Gao F, Lang M, Ewing RC, Weber WJ (2010) Zirconate pyrochlores under high pressure. Phys Chem Chem Phys 12:12472–12477

    Article  CAS  PubMed  Google Scholar 

  8. Shlyakhtina AV, Levchenko AV, Abrantes JCC, Bychkov VY, Korchak VN, Rassulov VA, Larina LL, Karyagina OK, Shcherbakova LG (2007) Order-disorder phase transitions and high-temperature oxide ion conductivity of Er2+xTi2- xO7-δ (x = 0, 0.096). Mater Res Bull 42:742–752

    Article  CAS  Google Scholar 

  9. Durán P (1977) Phase relationships in the Hafnia-Gadolinia system. Ceramurg Intern 3:137–140

    Article  Google Scholar 

  10. Michel D, yJorba MP, Collongues R (1976) Study by Raman spectroscopy of order-disorder phenomena occurring in some binary oxides with fluorite-related structures. J Raman Spectroscop 5(2):163–180

    Article  CAS  Google Scholar 

  11. Yamamura H, Nishino H, Kakinuma K, Nomura K (2003) Electrical conductivity anomaly around fluorite- pyrochlore phase boundary. Solid State Ion 158:359–365

    Article  CAS  Google Scholar 

  12. Shlyakhtina AV, Abrantes JCC, Larina LL, Shcherbakova LG (2005) Synthesis and conductivity of Yb2Ti2O7 nanoceramics. Solid State Ion 176:1653–1656

    Article  CAS  Google Scholar 

  13. Kido H, Komarneni S, Roy R (1991) Preparation of La2Zr2O7 by Sol-Gel route. J Am Ceram Soc 74:422–424

    Article  CAS  Google Scholar 

  14. Michel D, Perez y Jorba M, Collongues R, (1974) Etude de la transformation ordre-desordre de la structure fluorite a la structure pyrochlore pour des phases (l-x) ZrO2 -xLn2O3. Mater Res Bull 9:1457–1468

    Article  CAS  Google Scholar 

  15. Lerf A, Butz T (1987) Nuclear quadrupole interaction and time-resolved perturbed γ-γ angular correlation spectroscopy : applications in chemistry, materials science, and biophysical chemistry, Angew. Chem In; Ed Engl 26:110–126

    Article  Google Scholar 

  16. Ahmed G, Hanif M, Mahmood K, Yao R, Ning H, Jiao D, Wu M, Khan J, Liu Z (2018) Lattice defects of ZnO and hybrids with GO: characterization. EPR Optoelectron Prop, AIP Adv 8:025218–025311

    Google Scholar 

  17. Gupta SK, Abdou M, Zuniga JP, Ghosh PS, Molina E, Xu B, Chipara M, Mao Y (2019) Roles of oxygen vacancies and pH induced size changes on photo- and radioluminescence of undoped and Eu3+-doped La2Zr2O7 nanoparticles. J Lumin 209:302–315

    Article  CAS  Google Scholar 

  18. Liang J, Deng Z, Jiang X, Li F, Li Y (2002) Photoluminescence of tetragonal ZrO(2) nanoparticles synthesized by microwave irradiation. Inorg Chem 41(14):3602–3604

    Article  CAS  PubMed  Google Scholar 

  19. Gupta SK, Ghosh P, Reghukumar C, Pathak N, Kadam R (2016) Experimental and theoretical approach to account for green luminescence from Gd2Zr2O7 pyrochlore: exploring the site occupancy and origin of host-dopant energy transfer in Gd2Zr2O7:Eu3+. RSC Adv 6:44908–44920

    Article  CAS  Google Scholar 

  20. Gupta SK, Sudarshan K, Ghosh P, Srivastava A, Bevara S, Pujari P, Kadam R (2016) Role of various defects in the photoluminescence characteristics of nanocrystalline Nd2Zr2O7: an investigation through spectroscopic and DFT calculations. J Mater Chem C 4:4988–5000

    Article  CAS  Google Scholar 

  21. Kresse G, Hafner J (1993) Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47: 558; ibid. (1994) 49: 14251.

  22. Kresse G, Furthmüller J (1996) Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput Mat Sci 6:15

    Article  CAS  Google Scholar 

  23. Kresse G, Furthmüller J (1996) Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B 54:11169

    Article  CAS  Google Scholar 

  24. Kresse G, Joubert D (1999) From ultrasoft pseudopotentials to the projector augmented-wave method. Phys Rev B: Condens Matter Mater Phys 59:1758–1798

    Article  CAS  Google Scholar 

  25. Blöchl PE (1994) Projector augmented-wave method. Phys Rev B: Condens Matter Mater Phys 50:17953–17998

    Article  Google Scholar 

  26. Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C (1992) Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation. Phys Rev B: Condens Matter Mater Phys 46:6671–6698

    Article  CAS  Google Scholar 

  27. Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865–3868

    Article  CAS  PubMed  Google Scholar 

  28. Monkhorst HJ, Pack JD (1976) Special points for brillouin-zone integrations. Phys Rev B 13:5188

    Article  Google Scholar 

Download references

Acknowledgements

The present work was supported by UGC-DAE CSR project no. CRS/2021-22/02/535. Dr. S. V. Thakare, RPhD, BARC is thankfully acknowledged for his help in arranging the PAC probe. Mr. Ashim Kumar Biswas of RCD (BARC), VECC, Kolkata is acknowledged for his help during sample preparation. Dr. R. Tripathi, Head, NCS, RCD, BARC and Dr. P. K. Mohapatra, Associate Director, RC&I Group, BARC are sincerely acknowledged for their continuous support and encouragement in carrying out the work.

Funding

The Funding was provided by UGC-DAE Consortium for Scientific Research, University Grants Commission, (CRS/2021-22/02/535), Kakoli Banerjee

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to D. Banerjee.

Ethics declarations

Conflict of interest

There is no conflict of interest.

Additional information

Publisher's Note

Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Rights and permissions

Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Banerjee, D., Parayil, R.T., Gupta, S.K. et al. A comparative study on pyrochlore phase formation in La2Zr2O7 in microscopic and macroscopic scale. J Radioanal Nucl Chem 333, 1603–1609 (2024). https://doi.org/10.1007/s10967-023-09221-8

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10967-023-09221-8

Keywords

Navigation