Stoichiometry-related defect structure in lithium niobate and lithium tantalate


Congruently grown LiNbO3 (LiTaO3) is known to be highly defective due to its significant Li2O deficiency. We present in this work a comparative study between normal LiNbO3 (LiTaO3) and ilmenite structural LiNbO3 (LiTaO3). Namely, the normal cation stacking sequence is replaced by ilmenite ordering ‘…Nb (Ta) Li vacancy Li Nb (Ta) vacancy Nb (Ta) Li vacancy Li Nb (Ta) vacancy…’. From Safaryan’s approach which combines a ferroelectric phase transition theory and vacancy models, we calculated the Curie temperature in ilmenite LiNbO3 (LiTaO3). We have shown that ilmenite structural LiNbO3 (LiTaO3) is in excellent agreement with the result of the experiment compared to normal LiNbO3 (LiTaO3).

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We gratefully acknowledge financial support from the Ministry of Higher Education and the National Center for Scientific Research and Technology.

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Maaider, K., Masaif, N. & Khalil, A. Stoichiometry-related defect structure in lithium niobate and lithium tantalate. Indian J Phys 95, 275–280 (2021).

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  • Ferroelectrics
  • Lithium niobate
  • Lithium tantalate
  • Defect structure
  • Vacancy models
  • Curie temperature


  • 61.72.-y
  • 61.72.jd
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  • 77.80.B