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.
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Subramanian MA, Aravamudan G, Rao GS (1983) Oxide pyrochlores—a review. Prog Solid State Chem 15(2):55–143
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
Cao XQ, Vassen R, Stoever D (2004) Ceramic materials for thermal barrier coatings. J Eur Ceram Soc 24:1–10
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
Ringwood AE, Kesson SE, Ware NG, Hibberson W (1979) A Major Immobilisation of high level nuclear reactor wastes in SYNROC. Nature 278:219–223
Anantharaman AP, Dasari HP (2021) Potential of pyrochlore structure materials in solid oxide fuel cell applications. Ceram Int 47(4):4367–4388
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
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
Durán P (1977) Phase relationships in the Hafnia-Gadolinia system. Ceramurg Intern 3:137–140
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
Yamamura H, Nishino H, Kakinuma K, Nomura K (2003) Electrical conductivity anomaly around fluorite- pyrochlore phase boundary. Solid State Ion 158:359–365
Shlyakhtina AV, Abrantes JCC, Larina LL, Shcherbakova LG (2005) Synthesis and conductivity of Yb2Ti2O7 nanoceramics. Solid State Ion 176:1653–1656
Kido H, Komarneni S, Roy R (1991) Preparation of La2Zr2O7 by Sol-Gel route. J Am Ceram Soc 74:422–424
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
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
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
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
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
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
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
Kresse G, Hafner J (1993) Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47: 558; ibid. (1994) 49: 14251.
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
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
Kresse G, Joubert D (1999) From ultrasoft pseudopotentials to the projector augmented-wave method. Phys Rev B: Condens Matter Mater Phys 59:1758–1798
Blöchl PE (1994) Projector augmented-wave method. Phys Rev B: Condens Matter Mater Phys 50:17953–17998
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
Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865–3868
Monkhorst HJ, Pack JD (1976) Special points for brillouin-zone integrations. Phys Rev B 13:5188
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.
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The Funding was provided by UGC-DAE Consortium for Scientific Research, University Grants Commission, (CRS/2021-22/02/535), Kakoli Banerjee
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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
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DOI: https://doi.org/10.1007/s10967-023-09221-8