Temperature dependence of the polarization and the dielectric constant near the paraelectric-ferroelectric transitions in BaTiO3

Date

2013-09-01

Author

Yurtseven, Hasan Hamit

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Temperature dependences of the spontaneous polarization and the dielectric constant are calculated near the paraelectric-ferroelectric (cubic-tetragonal) transition in BaTiO3 using our mean field model. By expanding the free energy in terms of the spontaneous polarization (order parameter), expressions for the temperature dependence of the spontaneous polarization and the dielectric constant are derived. By considering the temperature dependence of the Raman frequencies for the lattice mode (310 cm(-1)) which is related to the spontaneous polarization, the experimental data from the literature is analyzed near the first order paraelectric-ferroelectric transition in BaTiO3. The dielectric constant is then calculated as a function of temperature for the cubic-tetragonal transition in BaTiO3. Our results show that the observed behavior of the spontaneous polarization in the ferroelectric phase (T < T-C) and that of the dielectric constant in both paraelectric (T > T-C) and ferroelectric phases, can be described adequately by the mean field model studied here for BaTiO3.

Subject Keywords

Physical and Theoretical Chemistry, Inorganic Chemistry, Organic Chemistry, Computational Theory and Mathematics, Catalysis, Computer Science Applications

URI

https://hdl.handle.net/11511/46645

Journal

JOURNAL OF MOLECULAR MODELING

DOI

https://doi.org/10.1007/s00894-013-1927-4

Collections

Department of Physics, Article

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Citation Formats

H. H. Yurtseven, “Temperature dependence of the polarization and the dielectric constant near the paraelectric-ferroelectric transitions in BaTiO3,” JOURNAL OF MOLECULAR MODELING, pp. 3925–3930, 2013, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/46645.