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Our detailed temperature dependent synchrotron powder x-ray diffraction studies along with first-principles density functional perturbation theory calculations, enable us to shed light on the origin of ferroelectricity in GdCrO3. The actual lattice symmetry is found to be noncentrosymmetric orthorhombic P na21 structure, supporting polar nature of the system. Polar distortion is driven by local symmetry breaking and by local distortions dominated by Gd off-centering. Our study reveals an intimate analogy between GdCrO3 and YCrO3. However, a distinctive difference exists that Gd is less displacive compared to Y, which results in an orthorhombic P na21 structure in GdCrO3 in contrast to monoclinic structure in YCrO3 and consequently, decreases its polar property. This is due to the subtle forces involving Gd-4f electrons either directly or indirectly. A strong magneto-electric coupling is revealed using Raman measurements based analysis in the system below Cr-ordering temperature, indicating their relevance to ferroelectric modulation.

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Temperature dependent synchrotron x-ray diffraction and extended x-ray absorption fine structure (EXAFS) studies were performed to understand the role of structural characteristics in driving the magnetoelectric multiferoic properties of GdCrO3. The results suggest that the distortion in the structure appears to be associated with the off-center displacement of Gd-atoms together with octahedral rotations via displacement of the oxygen ions in GdCrO3. In addition, the magnetic coupling below magnetic transition temperature leads to additional distortion in the system via magnetostriction effect, playing a complementary role in the enhancement of ferroelectric polarization. Further, a comparative EXAFS study of GdCrO3 with a similar system YCrO3 suggests that oxygen environment of Gd in GdCrO3 is different from Y in YCrO3, which resulting in an orthorhombic P na21 structure in GdCrO3 in contrast to the monoclinic P 21 structure in YCrO3.PACS numbers: