General Rules for Predicting Phase Transitions in Perovskites due to Octahedral Tilting

Angel, R. J.; Zhao, Jing; Ross, Nancy L.

doi:10.1103/physrevlett.95.025503

Cited by 158 publications

(155 citation statements)

References 26 publications

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“…On the basis of the rather general results (mechanism independent), equation (28) and equation (29), it also appears the transport is quasi-3D above T 0 . For a NdNiO 3 to change from effectively 2D to effectively 3D under increasing compressive strain is not unexpected 21 . However, one should check that an estimate of the temperature T 0 is in rough agreement with the experimentally determined value.…”

Section: Articlementioning

confidence: 99%

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Heterointerface engineered electronic and magnetic phases of NdNiO3 thin films

et al. 2013

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Mott physics is characterized by an interaction-driven metal-to-insulator transition in a partially filled band. In the resulting insulating state, antiferromagnetic orders of the local moments typically develop, but in rare situations no long-range magnetic order appears, even at zero temperature, rendering the system a quantum spin liquid. A fundamental and technologically critical question is whether one can tune the underlying energetic landscape to control both metal-to-insulator and Néel transitions, and even stabilize latent metastable phases, ideally on a platform suitable for applications. Here we demonstrate how to achieve this in ultrathin films of NdNiO 3 with various degrees of lattice mismatch, and report on the quantum critical behaviours not reported in the bulk by transport measurements and resonant X-ray spectroscopy/scattering. In particular, on the decay of the antiferromagnetic Mott insulating state into a non-Fermi liquid, we find evidence of a quantum metal-to-insulator transition that spans a non-magnetic insulating phase.

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Section: Articlementioning

confidence: 99%

“…Although we do not detect any sizable structural transition that might cause a change in the effective dimensionality of our system (from 2D to 3D) near eE À 3%, theoretically, large biaxial compression could drive such a transition in NdNiO 2 (ref. 21).…”

Section: Phase Diagrammentioning

confidence: 99%

Heterointerface engineered electronic and magnetic phases of NdNiO3 thin films

et al. 2013

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“…16,31,43 In addition, the coexistence of competing forces of ferroelectric and antiferroelectric forces may play a certain role in the formation of the relaxor state. 32,33,37,[44][45][46][47][48] We observe two type of diffuse scatterings, one is along reciprocal lattice lines, and the other one is butterfly shaped around Bragg peak. We show that both type of diffuse scattering are suppressed by pressure.…”

Section: Discussionmentioning

confidence: 97%

Structural transitions in Pb(In1∕2Nb1∕2)O₃ under pressure

et al. 2015

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Room-temperature Raman scattering and x-ray diffraction measurements together with first-principles calculations were employed to investigate the behavior of disordered Pb(In 1=2 Nb 1=2 ÞO 3 (PIN) under pressure up to 50 GPa. Raman spectra show broad bands but a peak near the 380 cm À1 increases its intensity with pressure. The linewidth of the band at 550 cm À1 also increases with pressure, while two of the Raman peaks merge above 6 GPa. Above 16 GPa, we observe additional splitting of the band at 50 cm À1 . The pressure evolution of the diffraction patterns for PIN shows obvious Bragg peaks splitting above 16 GPa; consistent with a symmetry lowering transition. The transition at 0.5 GPa is identified as a pseudo-cubic to orthorhombic (Pbam) structural change whereas the transition at 16 GPa is isostructure and associated with changes in linear compressibility and octahedral titling, and the transition at 30 GPa is associated to an orthorhombic to monoclinic change. First-principles calculations indicate that the Pbam structure is ground state with antiferrodisdortion consistent with experiment.

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“…Experimental uncertainties introduced in the extrapolation of a o from high temperatures tend to result in much greater scatter for the volume strain, e a , but the non linear behaviour for CST shown in Figure 5b is not atypical of perovskites; the same type of pattern is seen as a function of temperature in CaTiO 3 and as a function of composition across the CST solid solution at room temperature . Volume strains accompanying the tilting transitions can be positive (increasing pressure favours the high symmetry form) or negative (increasing pressure favours the low symmetry form), showing that the octahedra do not behave as rigid units (Angel et al, 2005). Spontaneous strain data for the cubic ↔ tetragonal transition show that it is also close to tricritical in pure CaTiO 3 ), but more nearly second order in SrTiO 3 Hayward and Salje, 1999).…”

Section: Structural Evolution Octahedral Tilting and Spontaneous Strainmentioning

confidence: 99%

Structural evolution, strain and elasticity of perovskites at high pressures and temperatures

Carpenter

Sondergeld

et al. 2006

Journal of Mineralogical and Petrological Sciences

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Octahedral tilting transitions in perovskites are usually identified by the significant lattice distortions which accompany them. The underlying mechanism of coupling between the tilts and the macroscopic strain also gives rise to large anomalies in single crystal and bulk elastic moduli. Landau theory provides an effective framework for describing these different changes in properties and relating them, quantitatively, to the evolution of the driving order parameter for the transition. This approach has been used to analyse the overall elastic behaviour of perovskites belonging to the CaTiO 3 SrTiO 3 (CST) solid solution, which is expected to be closely analogous to the behaviour of silicate perovskites at higher pressures and temperatures. Pm3 m ↔ I4/mcm and I4/mcm ↔ Pnma transitions in CST perovskites are marked by changes in the shear modulus of ~ 10 30%. The evolution of the order parameter and, hence, of the octahedral tilt angles through these can be followed through the variations of spontaneous strains extracted from high resolution lattice parameter data. Contributions to the elastic softening which are due to strain/octahedral tilt coupling have been calculated using a fully parameterised Landau model of the Pm3 m ↔ I4/mcm transition as a function of temperature, pressure and composition. Differences between calculated elastic constants and experimental data from Dynamical Mechanical Analysis, pulse echo ultrasonics and Resonant Ultrasound Spectroscopy suggest that a proportion of the total softening in tetragonal samples may be due to anelastic effects. The anelastic contributions are observed at frequencies of both a few Hz and 10's of MHz, and can be understood in terms of strain contributions arising from movements of transformation twin walls in response to an externally applied shear stress. Similar transitions in other perovskites are likely to display small anomalies in the bulk modulus, due to weak coupling between octahedral tilts and volume strain, but much larger anomalies in the shear modulus. The elastic properties of tetragonal and orthorhombic structures are likely to be quite different due to different anelastic contributions from twin wall displacements.

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General Rules for Predicting Phase Transitions in Perovskites due to Octahedral Tilting

Cited by 158 publications

References 26 publications

Heterointerface engineered electronic and magnetic phases of NdNiO3 thin films

Heterointerface engineered electronic and magnetic phases of NdNiO3 thin films

Structural transitions in Pb(In1∕2Nb1∕2)O₃ under pressure

Structural evolution, strain and elasticity of perovskites at high pressures and temperatures

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General Rules for Predicting Phase Transitions in Perovskites due to Octahedral Tilting

Cited by 158 publications

References 26 publications

Heterointerface engineered electronic and magnetic phases of NdNiO3 thin films

Heterointerface engineered electronic and magnetic phases of NdNiO3 thin films

Structural transitions in Pb(In1∕2Nb1∕2)O3 under pressure

Structural evolution, strain and elasticity of perovskites at high pressures and temperatures

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Product

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Structural transitions in Pb(In1∕2Nb1∕2)O₃ under pressure