Octahedra-Tilted Control of Displacement Disorder and Dielectric Relaxation in Mn-Doped SrTiO3 Single Crystals.

Strontium titanate SrTiO3 (STO) is a canonical example of a quantum paraelectric, and its doping with manganese ions unlocks its potential as a quantum multiferroic candidate. However, to date, the specifics of incorporation of the manganese ion into the perovskite lattice and its impact on structure-property relationships are debatable questions. Herein, using high-precision X-ray diffraction of a Mn (2 atom %)-doped STO single crystal, clear fingerprints of the displacement disorder of Mn cations in the perovskite B-sublattice are observed. Moreover, near the temperature of the antiferrodistortive transition, the off-center Mn position splits in two, providing the unequal potential barrier's distribution for possible local atomic hopping. A link with this was found via analysis of the dielectric response that reveals two Arrhenius-type relaxation processes with similar activation energies (35 and 43 meV) and attempt frequencies (1 × 1011 and ∼1.6 × 1010 Hz), suggesting similar dielectric relaxation mechanisms.

Synthesis of Perovskite-Type BiScO3 Ceramics and their Dielectric and Infrared Characterization.

BiScO3 compound was obtained in the form of dense ceramic with a perovskite-type structure, and its complex characterization was determined for the first time. The corresponding synthesis procedure is described in detail. It is demonstrated that the temperature region of the phase stability at atmospheric pressure lies at T < 700 °C (973 K). It is shown that the crystal structure of the BiScO3 ceramic is centrosymmetric. Dielectric measurements of the synthesized sample performed at frequencies 25 Hz to 1 MHz and at temperatures 10-340 K show no changes typical for phase transition. Room-temperature infrared (30-15600 cm-1) and Raman (90-2000 cm-1) spectra of the prepared BiScO3 ceramic are measured, and information on the parameters of phonon resonances is obtained. The number of infrared modes exceeds that predicted by the factor group analysis of the noncentrosymmetric space group C2. The reason for selection rules violation can be associated with the disorder of the crystal structure and local distortions induced by the lone pair of electrons of Bi3+.