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

Date

2013-09-01

Author

Yurtseven, Hasan Hamit

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

231
views

0
downloads

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

Suggestions

OpenMETU
Core

Calculation of the Raman frequencies as a function of pressure in the solid phases II and III (III ') of benzene Yurtseven, Hasan Hamit (Springer Science and Business Media LLC, 2013-06-01) We calculate here the Raman frequencies of the lattice modes A(A (g) ), B(B (2g) ) and C(B (1g) B (3g) ) as a function of pressure at room temperature for the solid phases (II, III and III') of benzene. This calculation is performed using volume data through the mode Gruneisen parameter. It is found that our calculated frequencies of those lattice modes increase with increasing pressure, as expected. Calculated frequencies are in good agreement with the measurements of the three lattice modes for the solid ...
Temperature and the field dependence of the magnetization close to order-disorder phase transitions in DMMn and the chromium-doped DMMn Yurtseven, Hasan Hamit (Elsevier BV, 2018-11-01) We study the temperature and field dependence of the magnetization M(T,H) for the order-disorder transition in DMMn and the chromium-doped DMMn close to T-c. By analyzing the experimental data for M(T,H) from the literature according to the power-law formula, values of the critical exponent (beta) and the critical isotherm (delta) are deduced and also, the temperature dependence of magnetization M(T) is calculated from the molecular field theory for those compounds.
Resonant frequency shifts related to the elastic constants near the alpha-beta transition in quartz Yurtseven, Hasan Hamit (Elsevier BV, 2019-03-05) The resonant frequency shifts of vibrational modes are related to the elastic constants at various temperatures for the alpha-beta transition in quartz (T-c = 573.0 degrees C for alpha-quartz and 574.3 degrees C for beta-quartz). This correlation is constructed on the basis of the spectroscopic modifications of the Pippard relations near the alpha-beta transition in quartz by using the observed data from the literature.
Nonlinear effects in proline-thiourea host-guest complex catalyzed aldol reactions in nonpolar solvents Demir, Ayhan Sıtkı; Eymur, Serkan (Elsevier BV, 2010-03-16) An aldol reaction catalyzed by a proline-thiourea host-guest complex in a nonpolar solvent shows excellent nonlinear effects. This proline-thiourea system has the ability to form a hydrogen-bonding network. The enantiomeric excess of proline in a solution can be significantly enhanced by its incorporation with a urea molecule into its solid racemate. This suggests a general and facile route to homochirality, which may be involved in the origin of chirality on earth.
Temperature dependence of the polarization, dielectric constant, damping constant and the relaxation time close to the ferroelectric-paraelectric phase transition in LiNbO3 Kiraci, A.; Yurtseven, Hasan Hamit (2017-01-01) We calculate the order parameter (spontaneous polarization) and the inverse dielectric susceptibility at various temperatures in the ferroelectric phase of LiNbO3 for its ferroelectric-paraelectric phase transition (T-C =1260 K) using the Landau phenomenological model. For this calculation, the Raman frequencies of the soft optic mode (TO1) are used as the order parameter and the fitting procedure is employed for both the order parameter and the inverse dielectric susceptibility by means of the observed dat...

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.