Mechanism of small-polaron formation in the biferroic YCrO3 doped with calcium

The effects of Ca substitutions on the structure, magnetism and electrical properties of YCrO3 ceramics are investigated by X-ray diffraction, magnetic susceptibility and electrical conductivity measurements. The cell volume decrease occurs through the change from Cr(III) to Cr(IV) as a result of the charge compensation of the Ca doping. No changes are observed in the antiferromagnetic transition temperature while strong changes are observed in the transport measurements due to Ca content. The increase of the electrical conductivity as well as the decrease of the activation energy is caused by the formation of the small-polarons localized in the OCrO lattice distortion. The origin of small-polarons in the undoped sample is different in nature from the calcium doped. “Local non-centrosymmetry” is the source of the small-polaron formation in undoped sample, while the change from Cr(III) to Cr(IV) through the charge compensation of Ca(II) in the Y(III) site is the source of small-polarons formations. The decrease of the average bond length CrO as well as effective moments in the paramagnetic state and the increase of the electrical conductivity are clear evidence that the Ca doping induces localized polarons, which in turn, these quasiparticles move from site to site by a thermally activated process in the doped YCrO3 compound. Here, we also discuss a possible mechanism of small-polaron injections in YCrO3 matrix.

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► The Ca doped in the YCrO3 matrix was analyzed by means of complete structural, magnetic and electric properties.
► Eact deduced by Arrhenius’ Law suggests small-polarons as conduction mechanisms in pristine and doped sample.
► Local non-centrosymmetry in pristine sample is proposed as responsible of small polarons formation.
► A mechanism of formation of small polarons is proposed supported by experimental evidence.
► The structural distortion caused by the Ca doped in the YCrO3 matrix is harmful to the Ferroic properties.