Transmission infrared, Attenuated Total Reflectance (ATR) and Raman spectra of crystalline methylammonium iodide (MAI) and formamidinium iodide (FAI) in the temperature interval starting from –170 ºC to 200 ºC were studied. The spectra recorded in the region from 4000 to 500 cm–1 enabled resolving the ambiguities associated with the origin of some bands. For the first time a complete and detailed vibrational investigation and assignment of the IR spectra of these compounds based on the differences in the temperature dependent IR spectra for all phases, including the metastable ones, have been made. The findings support the already established crystal structure of the phases for both compounds. The correlation between the overtones and fundamental modes has been confirmed based on the temperature induced isosbestic point.
Perovskite series GdCr 1 -x Co x O 3 (x = 0, 0.33, 0.5, 0.67 and 1) was obtained using a solution combustion method. The powder XRD was used for identification and structural characterization of the obtained perovskites. All compounds crystallize within the space group Pnma. The morphology of samples was studied using SEM. The impedance and AC conductivity of GdCr 1 -x Co x O 3 were studied using impedance spectroscopy in a frequency range from 10 Hz to 10 MHz and in temperature interval 297-337 K. Changes in electric modulus and DC conductivity, with increasing of the value of x in the structures, were observed. The AC conductivity obeyed the universal power law, r(x) = r(0) + Ax n and revealed semiconductor behavior. The calculated activation energies of existing processes varied with the cobalt content and applied frequency. The impedance spectra showed non-Debye behavior with a distribution of relaxation times for relaxation and conductive processes. The conduction mechanism for pure orthochromite and orthocobaltite was defined and two types of conduction were observed in the investigated temperature range for the complex perovskites. In order to explain the results, an equivalent circuit with fitted values of circuit components was proposed.
In this work, the unit cell parameter (a) of the series of cubic ABX 3 perovskites was modeled using counter-propagation artificial neural networks, and the influence of different input variables was examined by using algorithm for automatic adjustment of the relative importance of the variables. The input variables used in this model were the ionic radii of A, B, and X as well as the oxidation state (z) and the electronegativity (x) of the anion.The developed models have good generalization performances-good agreement between experimental and predicted values for lattice parameter. One of the important outcomes from this work is obtained from the results of the automatic adjustment of the relative importance of input variables. That is to say, this analysis gave us an insight that the most pronounced influence on the successful prediction of the unit cell parameter of the analyzed data set of cubic ABX 3 perovskites has the effective ionic radii of B-cation. In addition to this, it may be concluded that the separation of the compounds in different regions of counter-propagation artificial neural networks was predominantly influenced by the input variables with regard to the physical parameters of the anion. Copyright
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