Octahedra-Tilted Control of Displacement Disorder and Dielectric Relaxation in Mn-Doped SrTiO 3 Single Crystals.
Mikhail V TalanovAdam I StashSergey A IvanovElena S ZhukovaBoris P GorshunovBoris M NekrasovVasily S StolyarovVladislav I KozlovMaxim SavinovAlexander A BushPublished in: The journal of physical chemistry letters (2022)
Strontium titanate SrTiO 3 (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 × 10 11 and ∼1.6 × 10 10 Hz), suggesting similar dielectric relaxation mechanisms.
Keyphrases
- room temperature
- metal organic framework
- quantum dots
- transition metal
- ionic liquid
- molecular dynamics
- single molecule
- density functional theory
- highly efficient
- electron microscopy
- solar cells
- visible light
- computed tomography
- magnetic resonance imaging
- dual energy
- risk assessment
- crystal structure
- solid state
- oxide nanoparticles