Local inversion symmetry breaking and spin-phonon coupling in perovskite GdCrO3

Abstract

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 Pna21 structure, sup- porting 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.

arXiv comment8 pages, 6 figures

References in corpus (18)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• Spin current and magneto-electric effect in non-collinear magnets
• Magnetic inversion symmetry breaking and ferroelectricity in TbMnO3
• Lattice dynamics of BaTiO3, PbTiO3 and PbZrO3: a comparative first-principles study
• Ab initio statistical mechanics of the ferroelectric phase transition in PbTiO3
• Field-induced Polar Order at the Néel Temperature of Chromium in Rare-earth Orthochromites: Interplay of Rare-earth and Cr Magnetism
• Polar octahedral rotations: a path to new multifunctional materials
• Biferroic YCrO3
• Phonon Raman scattering of RCrO3 perovskites (R = Y, La, Pr, Sm, Gd, Dy, Ho, Yb, Lu)
• Engineering multiferroism in CaMnO${}_3$
• Spin-phonon coupling in multiferroic RCrO${}_3$ (R-Y, Lu, Gd, Eu, Sm): A Raman study
• Competition and cooperation between antiferrodistortive and ferroelectric instabilities in SrTiO${}_3$
• Multiferroicity in rare-earth nickelates RNiO3
• Coupling between magnetic ordering and structural instabilities in perovskite biferroics: A first-principles study
• Field- and pressure-induced phases in Sr${}_4$Ru${}_3$O${}_{10}$: A spectroscopic investigation
• Effect of pressure on octahedral distortions in RCrO3 (R = Lu, Tb, Gd, Eu, Sm): The role of R-ion size and its implications
• Mechanism of ferroelectric instabilities in non d^0 perovskites: LaCrO_3 versus CaMnO_3

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• High-temperature magnetism and crystallography of a YCrO${}_3$ single crystal
• Identification of spin wave resonances and crystal field transitions in simple chromites RCrO3 (R=Pr, Sm, Er) at ultralow temperatures in the THz spectral region
• Emergent room-temperature ferroelectricity in spark-plasma sintered DyCrO${}_3$ and LaCrO${}_3$