Revealing pressure-driven structural transitions in the hybrid improper ferroelectric 
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Smith, Kevin B.; Ramkumar, Sriram Poyyapakkam; Harms, Nathan C.; Clune, Amanda; Xu, Xianghan; Cheong, Sang‐Wook; Liu, Zhenxian; Nowadnick, Elizabeth; Musfeldt, J. L.

doi:10.1103/physrevb.104.064106

Cited by 12 publications

(10 citation statements)

References 66 publications

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“…A very recent synchrotron infrared spectroscopy experiment on HIF Sr 3 Sn 2 O 7 53 shows a more complex sequence of pressure-induced phase transitions at 2, 15 and 18 GPa than we observe in Ca 3 Ti 2 O 7 . The first of these is the FE transition, which was assigned as first-order as it resulted from a transition between two phases without a group-subgroup relationship: A2 1 am and P nab.…”

Section: Resultscontrasting

confidence: 41%

Pressure-Dependent Phase Transitions in Hybrid Improper Ferroelectric Ruddlesden-Popper Oxides

Clarke¹,

Daisenberger²,

Luo³

et al. 2021

Preprint

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The temperature-dependent phase transitions in Ruddlesden-Popper oxides with perovskite bilayers have been under increased scrutiny in recent years due to the so-called hybrid improper ferroelectricity that some chemical compositions exhibit. However, little is currently understood about the hydrostatic pressure dependence of these phase transitions. Herein we present the results of a high-pressure powder synchrotron X-ray diffraction experiment and ab initio calculations on the bilayered Ruddlesden-Popper phases Ca3Mn2O7 and Ca3Ti2O7. In both compounds we observe a first-order phase transition between polar A21am and non-polar Acaa structures. Interestingly, we show that while the application of pressure ultimately favours a non-polar phase -as is commonly observed for proper ferroelectrics -regions of response exist where pressure actually acts to increase the polar mode amplitudes. The reason for this can be untangled by considering the varied response of octahedral tilts and rotations to hydrostatic pressure and their trilinear coupling with the polar instability.

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Section: Resultscontrasting

confidence: 41%

Pressure-Dependent Phase Transitions in Hybrid Improper Ferroelectric Ruddlesden-Popper Oxides

Clarke¹,

Daisenberger²,

Luo³

et al. 2021

Preprint

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“…Similarly, the substitution of Mn at the B-site can promote octahedral compression, as compared to that at the A-site. Here we refer to the concept of tolerance factor τ to further illustrate the role of Mn substitution, defined as 52 The ABO 3 structure in the C phase has lattice constants of a = b = c, and hence the τ value is 1. 53 Due to the compressibility of the B−O bond, the Mn doping will reduce r B−O and increase the τ value, approaching 1.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…The effect of thermal expansion during the heating process and volume contraction as pressure increases on KNN-LN volume are opposite. 52 Due to the compressibility of BO 6 structure, 42,51 the thermal expansion phenomenon with increasing temperature cannot offset the volume shrinkage caused by phase transition. Besides, by increasing the pressure acting on KNN-LN, the energy of KNN-LN increases while the stability decreases from the theoretical calculation, so the entropy ΔS > 0 during the phase transition.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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Pressure- and Temperature-Induced Structural Phase Diagram of Lead-Free (K_0.5Na_0.5)NbO₃–0.05LiNbO₃ Single Crystals: Raman Scattering and Infrared Study

Yan

Cui

Dai

et al. 2022

ACS Appl. Mater. Interfaces

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Ferroelectric lead-free K x Na1–x NbO3 (KNN) perovskite, whose piezoelectric properties can be comparable to those of traditional Pb-based systems, has aroused wide concern in recent years. However, the specific influences of the stress field on KNN’s structure and piezoelectric properties have not been well clarified and there are few descriptions about the temperature–pressure phase diagram. Here, we analyzed the phonon mode behavior and structural evolution of K0.5Na0.5NbO3-0.05LiNbO3 (KNN-LN) and MnO2-doped single crystals with pressure- and temperature-dependent phase structure variations by theoretical calculation, polarized Raman scattering, and infrared reflectance spectra. The different phase structures can be predicted at high pressure using the CALYPSO method with its same-name code. The rhombohedral → orthorhombic → tetragonal → cubic phase transition process can be discovered in detail by Raman spectra under different temperatures and pressures. The phase coexistence on the thermal phase boundary was confirmed by basic anastomosis. Meanwhile, it was found that the substitution of Mn in the NbO6 octahedron aggravates the deformation of high pressure on KNN-LN and the substitution of Mn at the B-site intensifies the structural evolution more severely than at the A-site. The present study aims at exploring octahedra tilt, phonon vibrations, and the internal structure on the general critical phase boundary in KNN-LN crystals. It provides effective help for the study of lead-free perovskite phase transformation and the improvement in piezoelectric properties under a high-pressure field.

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“…Pressure-induced phase transitions have attracted great interest from both the fundamental and practical perspectives. The sequences of pressure-induced phase transitions often agree with those of temperature-induced ones, − but the two procedures are not always identical. Some materials exhibit fascinating characteristics only under high pressure, such as superconducting transitions, , ferroelectric transitions, − and spin transitions. , These exotic phases can often be quenched to atmospheric pressure by applying chemical pressure through elemental substitutions. , Examining the behavior of materials under high pressure is hence very useful in exploring functional materials.…”

Section: Introductionmentioning

confidence: 99%

Suppression of Pressure-Induced Phase Transitions in a Monoclinically Distorted LiNbO₃-Type CuNbO₃ by Preference for a CuO₃ Triangular Coordination Environment

et al. 2022

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Pressure-induced phase transitions in a monoclinically distorted LiNbO 3 -type CuNbO 3 with triangularly coordinated Cu and octahedrally coordinated Nb were experimentally and computationally investigated. Phase transitions into GdFeO 3 -type or NaIO 3 -type structures generally observed in LiNbO 3 -type compounds below 30 GPa were not detected in CuNbO 3 even at the maximum experimental pressure, 32.4 GPa. Our density functional theory calculations revealed that the phase transition is suppressed by the preference for the CuO 3 triangular coordination environment, which reduces the total internal energy. This study clarifies that the change in the coordination environment of given ions can affect the pressure-induced phase transition.

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Revealing pressure-driven structural transitions in the hybrid improper ferroelectric Sr3Sn2O7

Cited by 12 publications

References 66 publications

Pressure-Dependent Phase Transitions in Hybrid Improper Ferroelectric Ruddlesden-Popper Oxides

Pressure-Dependent Phase Transitions in Hybrid Improper Ferroelectric Ruddlesden-Popper Oxides

Pressure- and Temperature-Induced Structural Phase Diagram of Lead-Free (K_0.5Na_0.5)NbO₃–0.05LiNbO₃ Single Crystals: Raman Scattering and Infrared Study

Suppression of Pressure-Induced Phase Transitions in a Monoclinically Distorted LiNbO₃-Type CuNbO₃ by Preference for a CuO₃ Triangular Coordination Environment

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Revealing pressure-driven structural transitions in the hybrid improper ferroelectric Sr3Sn2O7

Cited by 12 publications

References 66 publications

Pressure-Dependent Phase Transitions in Hybrid Improper Ferroelectric Ruddlesden-Popper Oxides

Pressure-Dependent Phase Transitions in Hybrid Improper Ferroelectric Ruddlesden-Popper Oxides

Pressure- and Temperature-Induced Structural Phase Diagram of Lead-Free (K0.5Na0.5)NbO3–0.05LiNbO3 Single Crystals: Raman Scattering and Infrared Study

Suppression of Pressure-Induced Phase Transitions in a Monoclinically Distorted LiNbO3-Type CuNbO3 by Preference for a CuO3 Triangular Coordination Environment

Contact Info

Product

Resources

About

Pressure- and Temperature-Induced Structural Phase Diagram of Lead-Free (K_0.5Na_0.5)NbO₃–0.05LiNbO₃ Single Crystals: Raman Scattering and Infrared Study

Suppression of Pressure-Induced Phase Transitions in a Monoclinically Distorted LiNbO₃-Type CuNbO₃ by Preference for a CuO₃ Triangular Coordination Environment