Effects of Deuteration on the Dielectric Properties of Ferroelectric CsH₂PO₄. I. Static Dielectric Properties

First-principles study of paraelectric and ferroelectricCsH2PO4including dispersion forces: Stability and related vibrational, dielectric, and elastic properties

“…The spontaneous polarization of CDP is computed by taking the difference of total polarization between the ferroelectric and paraelectric phases. For CDP and DCDP, the calculated spontaneous polarization is 55.4 mC/m 2 along b axis, in excellent agreement with both the computation of Lasave et al 12 (54 mC/m 2 ) and the experimental observation 50 . The other components are negligible.…”

To the Theory of Relaxation Phenomena in Quasi-One-Dimensional Ferroelectrics With Hydrogen Bonds. Nonequilibrium Statistical Operator Approach

“…One of them yields thermodynamic and dynamic quantities of the model similar to those obtained within a cluster approach developed in papers [28,29]. These theoretical results were extensively used for the discussion and analysis of experimental data on ferroelectric of CsH 2 PO 4 type [16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32].…”

“…The protons of the longer H-bonds are ordered in both phases. Deuteration significantly changes the temperature of the phase transition, the dielectric and thermal properties of CsH 2 PO 4 crystal [16][17][18][19][20][21][22][23][24][25][26][27][28][29]. It is the evidence of the important role of H-bonds in the ferroelectricity of these crystals.…”

“…Papers [16][17][18][19][20][21][22][23][24][25][26][27] are focused on the discussion of the selected experiment and the suggested model parameters which provide the best fit to those data. Such a one-sided approach sometimes leads to incorrect conclusions.…”

“…Such a one-sided approach sometimes leads to incorrect conclusions. Thus, the authors of papers [22][23][24][25], comparing predictions of the model with such parameters with other measured quantities, found a marked disagreement and concluded that the model cannot describe the compounds under investigation. However, papers [28,29,32] show that the theory [28,32] which allows for short-and long-range interactions, describes thermodynamics and dynamics of these compounds with a satisfactory accuracy.…”