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We sintered the new (1 − x )Pb(Zr 0.70 Ti 0.30 )O 3 – x BiMnO 3 ( x = 0, 0.055, and 0.11) ceramics. The XRD test has shown the rhombohedral R3m symmetry for the PZT sample. The (1 − x )PZT– x BiMnO 3 samples show the existence of two phases, the one with R3m and the second with orthorhombic Pbam symmetry. Scanning electron microscopy test have shown a lack of bismuth oxide and manganese oxides precipitation. The density of states was calculated for a 40-atom supercell which corresponds to (Pb 7 Bi)(Zr 4 Ti 3 Mn)O 24 and (Pb 7 Bi)(Zr 3 MnTi 4 )O 24 ceramic compositions. The dielectric spectroscopy was conducted for f = 100 Hz–1 MHz in the 85–705 K range. The electric permittivity test indicated the existence of PZT phase within the PZT–BiMnO 3 ceramics. The addition of BiMnO 3 caused dispersion of electric conductivity in the low temperature range and induced a relaxor state in the high temperature range.

The authors acknowledge the CPU time allocation at Academic Computer Centre CYFRONET AGH in Cracow. This work was supported in part by PL-Grid Infrastructure and the European Regional Development Fund under the Infrastructure and Environment Programme [grant number UDA-POIS.13.01-023/09-00]. The research was partially carried out with the equipment purchased thanks to the financial support of the European Regional Development Fund in the framework of the Polish Innovation Economy Operational Program (contract no. POIG.02.01.00-12-023/08). L. Vasylechko acknowledges partial support of the Ukrainian Ministry of Education and Sciences under the Projects ?RZE?, ?KMON?, and ICDD Grant-in-Aid program. The authors acknowledge Marek Kubik and Tomasz Prociak (from the Stanmark company, Cracow, Poland) for making available DMA measurements. The authors thank A. Fitch and Yu. Prots for kindly assistance with high-resolution synchrotron powder diffraction measurements at ID22 of ESRF during the beamtime allocated to the Experiment MA-2320 and Prof. Stanislaw Baran (Institute of Physics, Jagiellonian University, Cracow, Poland) for a fruitful discussion., Ceramic samples, produced by conventional sintering method in ambient air, 6H-SrMnO3 (6H-SMO), 15R-BaMnO3 (15R-BMO), 4H-Ba0.5Sr0.5MnO3 (4H-BSMO) were studied. In the XRD measurements for SMO the new anomalies of the lattice parameters at 600–800 K range and the increasing of thermal expansion coefficients with a clear maximum in a vicinity at 670 K were detected. The Ne´el phase transition for BSMO was observed at TN = 250 K in magnetic measurements and its trace was detected in dielectric, FTIR, DSC, and DMA experiments. The enthalpy and entropy changes of the phase transition for BSMO at TN were determined as 17.5 J/mol and 70 mJ/K mol, respectively. The activation energy values and relaxation times characteristic for relaxation processes were determined from the Arrhenius law. Results of ab initio simulations showed that the contribution of the exchange correlation energy to the total energy is about 30%., International Centre for Diffraction Data MA-2320 ICDD; European Regional Development Fund UDA-POIS.13.01-023/09-00,POIG.02.01.00-12-023/08; Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART²