Elastic properties of perovskite<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>YCrO</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>up to 60 GPa

Ardit, Matteo; Cruciani, Giuseppe; Dondi, Michele; Merlini, Marco; Bouvier, Pierre

doi:10.1103/physrevb.82.064109

Cited by 32 publications

(42 citation statements)

References 31 publications

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“…It is to be noted that in GdCrO 3 , b-axis is less compressible compared to a and c-axes similar to the YCrO 3 case. [19] While in the case of EuCrO 3 and SmCrO 3 , there is compression along all the three axes. The direct outcome of this is the increase in the distortion of the perovskites structure in GdCrO 3 compared to that of EuCrO 3 and SmCrO 3 .…”

Section: (A) (B) (C)mentioning

confidence: 96%

“…GdAlO 3 ). A comparative study [19] of pressure evolution of octahedral distortions in YMO 3 (M=Al, Cr, Ti) negates this generalization and suggests the importance of size of B-cation radii for predicting the pressure induced structural changes in orthorhombic ABO 3 perovskites. In the same report, it is shown that structure of YCrO 3 becomes more distorted at higher pressures.…”

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confidence: 99%

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Effect of pressure on octahedral distortions inRCrO₃(R= Lu, Tb, Gd, Eu, Sm): the role ofR-ion size and its implications

Bhadram

Swain

Dhanya

et al. 2014

Mater. Res. Express

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Abstract:The effect of rare-earth ion size on the octahedral distortions in rare-earth chromites (RCrO 3 , R = Lu, Tb, Gd, Eu, Sm) crystallizing in the orthorhombic structure has been studied using Raman scattering and synchrotron powder x-ray diffraction up to 20 GPa. From our studies on RCrO 3 we found that the octahedral tilts (distortions) increase with pressure. This is contrary to the earlier report which suggests that in LaCrO 3 , the distortions decrease with pressure leading to a more ordered phase at high pressure. Here we observe that the rate of increase in distortion decreases with the increase in R-ion radii. This occurs due to the reduction in the compression of RO 12 polyhedra with a corresponding increase in the compression of the CrO 6 octahedra with increasing R-ion radii. From the Raman studies, we predict a critical R-ion radii, above which we expect the distortions in RCrO 3 to reduce with increasing pressure leading to what is observed in the case of LaCrO 3 . These Raman results are consistent with our pressure dependent structural studies on RCrO 3 (R = Gd, Eu, Sm). Also, our results suggest that the pressure dependence of Néel temperature, T N Cr , (where the Cr 3+ spin orders) in RCrO 3 is mostly affected by the compressions of Cr-O bonds rather than the alteration of octahedral tilts.

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Section: (A) (B) (C)mentioning

confidence: 96%

mentioning

confidence: 99%

Effect of pressure on octahedral distortions inRCrO₃(R= Lu, Tb, Gd, Eu, Sm): the role ofR-ion size and its implications

Bhadram

Swain

Dhanya

et al. 2014

Mater. Res. Express

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“…An extended version of Equation 3 has recently been implemented in order to compare the lattice evolution of orthorhombic perovskites under pressure [35,36]. Known-as d norm (P), this parameter defines the rate of change of the cell distortion factor with pressure normalized to the value at ambient conditions (d 0 ), such as:…”

Section: Octahedral Tilting and Lattice Distortion -First Evidence Ofmentioning

confidence: 99%

Compressibility of orthorhombic perovskites. The effect of transition metal ions (TMI)

Ardit

2015

Journal of Physics and Chemistry of Solids

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“…Although efficient for many perovskite compounds, this model does not hold when transition metal ions (TMI) occur at the BO 6 octahedra. Recent advancements reviewed the compressional behavior of perovskites through the so called "normalized cell distortion factor with pressure" d norm (P ) [17][18][19][20]. The d norm (P ) takes origin from the "cell distortion factor" d [21], formulated to evaluate the departure of an orthorhombic perovskite from the cubic archetype (where d = 0) at ambient conditions.…”

Section: Introductionmentioning

confidence: 99%

“…Since in the Pbnm space group a ≈ b ≈ √ 2a p , and c ≈ 2a p , with a p a pseudocubic subcell parameter defined as (a/ √ 2 + b/ √ 2 + c/2)/3, the cell distortion factor is defined 2 ]/3a 2 p × 10 4 . In order to evaluate the lattice distortion of an orthorhombic perovskite at high pressure regimes, the d factor has been extended by means of the normalized cell distortion factor with pressure as d norm (P ) = 1/d 0 (∂d/∂P ) T (where d 0 is the cell distortion factor d at ambient condition) [17,18]. Specifically, the latter parameter provides the rate of change of the lattice distortion of an orthorhombic perovskite with pressure, including both possible lattice anisotropies and variations of the octahedral tilts.…”

Section: Introductionmentioning

confidence: 99%

Evidence for a different electronic configuration as a primary effect during compression of orthorhombic perovskites: The case of NdM3+O3(M=Cr

et al. 2018

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SiO 3 perovskite is the most abundant mineral of the Earth's lower mantle, and compounds with the perovskite structure are perhaps the most widely employed ceramics. Hence, they attract both geophysicists and material scientists. Several investigations attempted to predict their structural evolution at high pressure, and recent advancements highlighted that perovskites having ions with the same formal valence at both polyhedral sites (i.e., 3+:3+) define different compressional patterns when transition metal ions (TMI) are involved. In this study, in situ high-pressure synchrotron XRD measurements coupled with ab initio simulations of the electronic population of NdCrO 3 perovskite are compared with the compressional feature of NdGaO 3. Almost identical from a steric point of view (Cr 3+ and Ga 3+ have almost the same ionic radius), the different electronic configuration of octahedrally coordinated ions-which leads to a redistribution of electrons at the 3d orbitals for Cr 3+-allows the crystal field stabilization energy (CFSE) to act as a vehicle of octahedral softening in NdCrO 3 or it turns octahedra into rigid units when CFSE is null as in NdGaO 3. Besides to highlight that different electronic configurations can act as a primary effect during compression of perovskite compounds, our findings have a deep repercussion on the way the compressibility of perovskites have to be modeled.

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Elastic properties of perovskiteYCrO3up to 60 GPa

Cited by 32 publications

References 31 publications

Effect of pressure on octahedral distortions inRCrO₃(R= Lu, Tb, Gd, Eu, Sm): the role ofR-ion size and its implications

Effect of pressure on octahedral distortions inRCrO₃(R= Lu, Tb, Gd, Eu, Sm): the role ofR-ion size and its implications

Compressibility of orthorhombic perovskites. The effect of transition metal ions (TMI)

Evidence for a different electronic configuration as a primary effect during compression of orthorhombic perovskites: The case of NdM3+O3(M=Cr

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Elastic properties of perovskiteYCrO3up to 60 GPa

Cited by 32 publications

References 31 publications

Effect of pressure on octahedral distortions inRCrO3(R= Lu, Tb, Gd, Eu, Sm): the role ofR-ion size and its implications

Effect of pressure on octahedral distortions inRCrO3(R= Lu, Tb, Gd, Eu, Sm): the role ofR-ion size and its implications

Compressibility of orthorhombic perovskites. The effect of transition metal ions (TMI)

Evidence for a different electronic configuration as a primary effect during compression of orthorhombic perovskites: The case of NdM3+O3(M=Cr

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Effect of pressure on octahedral distortions inRCrO₃(R= Lu, Tb, Gd, Eu, Sm): the role ofR-ion size and its implications

Effect of pressure on octahedral distortions inRCrO₃(R= Lu, Tb, Gd, Eu, Sm): the role ofR-ion size and its implications