Calculation of the Raman and IR Frequencies as Order Parameters and the Damping Constant (FWHM) Close to Phase Transitions in Methylhydrazinium Structures

2018-08-24
Kurt, Mustafa
Yurtseven, Hasan Hamit
Kurt, Arzu

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Calculation of the Raman and IR frequencies as order parameters and the damping constant (FWHM) close to phase transitions in methylhydrazinium structures
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Temperature dependences of the frequencies for the Raman modes of v (NH2), v(s) (CH3), v(1) (HCOO-), vs (CNN) and IR mode of rho (NH2) are calculated in particular, for MHyMn close to the phase transition temperature (T-C = 220 K) in the family of compounds CH3NH2NH2 M(HCOO)(3), MHyM with M = Mn, Mg, Fe and Zn. By assuming Raman and infrared frequency as an order parameter, this calculation is performed from the molecular field theory by using the experimental data from the literature. We also calculate the...
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Frequencies, damping constants and the relaxation times of some Raman modes including the two soft modes are calculated as a function of pressure near the tetragonal-cubic transition in PbTiO3. Calculation of the Raman frequencies is performed using the observed volume data from the literature by means of the mode Gruneisen parameter at various pressures. Pressure dependence of the damping constant and the relaxation time is predicted using the pseudospin-phonon coupled model and the energy fluctuation mode...
Calculation of the Ν4 (NH4) IR Mode Frequency and the Damping Constant (FWHM) Close to the Phase Transitions in NH4Zn(HCOO)3 and Nd4Zn(DCOO)3
Kurt, Arzu; Yurtseven, Hasan Hamit; Kurt, Mustafa (2018-09-09)
Temperature dependence of the IR frequency and the damping constant (FWHM) of the ν4(1440 cm-1) NH4+and ν4(1084 cm-1) ND4+ modes, are calculated for the metal formate frameworks (MOFs) of NH4Zn(HCOO)3 and ND4Zn(DCOO)3, respectively, by using the experimental data from the literature. By assuming the IR frequency of the ν4 mode as an order parameter, its temperature dependence is calculated close to the phase transition (TC=191 K) in the NH4Zn(HCOO)3 and ND4Zn(DCOO)3 by the molecular field theory. The temper...
Calculation of the ν4 (NH4) IR Mode Frequency and the Damping Constant (FWHM) close to the Phase Transitions in NH4ZN(HCOO)3 and ND4ZN(DCOO)3
KURT, ARZU; Yurtseven, Hasan Hamit; KURT, MUSTAFA (2019-09-01)
Temperature dependence of the IR frequency and the damping constant (FWHM) of the ν4(1440 cm-1) NH4+and ν4(1084 cm-1) ND4+ modes, are calculated for the metal formate frameworks (MOFs) of NH4Zn(HCOO)3 and ND4Zn(DCOO)3, respectively, by using the experimental data from the literature. By assuming the IR frequency of the ν4 mode as an order parameter, its temperature dependence is calculated close to the phase transition (TC=191 K) in the NH4Zn(HCOO)3 and ND4Zn(DCOO)3 by the molecular field theory. The temper...
Calculation of the damping constant and the order parameter for the lattice mode in ferroelectric PbTiO3
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The temperature dependences of the damping constant and the order parameter are calculated for the lattice mode of E (1TO) in PbTiO3 using the experimental data by the pseudospin- phonon coupled model and the enrgy fluctuation model. Calculation of the damping constant of soft mode is performed in the temperature range of 400- 490 degrees C close to the ferroelectric- paraelectric transition (T-C= 493 degrees C) in PbTiO3. By relating the frequency to the order parameter, the temperature dependence of the R...
Citation Formats
M. Kurt, H. H. Yurtseven, and A. Kurt, “Calculation of the Raman and IR Frequencies as Order Parameters and the Damping Constant (FWHM) Close to Phase Transitions in Methylhydrazinium Structures,” 2018, Accessed: 00, 2021. [Online]. Available: https://hdl.handle.net/11511/75170.