Orthorhombic perovskite CaTiO3 and CdTiO3: structure and space group

Sasaki, Shinya; Prewitt, C. T.; Bass, Jay D.; Schulze, Walter A.

doi:10.1107/s0108270187090620

Cited by 217 publications

(215 citation statements)

References 2 publications

(3 reference statements)

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“…9 the symmetries of the observed modes were identified incorrectly. This can be a result of the high twin density characteristic of CdTiO 3 crystals, 8,15,16 which can undoubtedly manifest itself in measurements on samples with a large area.…”

Section: Results Of the Calculationsmentioning

confidence: 99%

“…Therefore, quantum fluc-tuations should decrease the distortions accompanying the phase transition and decrease the spontaneous polarization P s . Other possible factors responsible for the decrease in the experimentally obtained polarization in CdTiO 3 can be the manifestation of twinning in crystals 8,15,16 and the presence of long-period structures competing with the P bnm phase.…”

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confidence: 99%

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Ferroelectric phase transition in orthorhombic CdTiO3: First-principles studies

Лебедев

2009

Phys. Solid State

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The crystal structures and phonon spectra of orthorhombic cadmium titanate with the P bnm structure and of its two possible ferroelectrically distorted phases with P bn21 and P b21m space groups were calculated from first principles within the density functional theory. The obtained structural parameters and frequencies of Raman-and infrared-active modes are in good agreement with available experimental data for the P bnm phase. Expansion of the total energy in a Taylor series of two order parameters showed that the ground state of the system corresponds to the P bn21 structure into which the P bnm phase transforms through a second-order phase transition without intermediate phases. A substantial discrepancy between the calculated and experimentally observed lattice distortions and spontaneous polarization in the polar phase was explained by quantum fluctuations as well as by existence of twinning and competing long-period structures.

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Section: Results Of the Calculationsmentioning

confidence: 99%

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confidence: 99%

Ferroelectric phase transition in orthorhombic CdTiO3: First-principles studies

Лебедев

2009

Phys. Solid State

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“…Note that single-crystalline BTO is tetragonal (a=b=3.994 Å, c=4.033 Å) 24 and single-crystalline CTO is orthorhombic (a=5.442 Å, b=5.380 Å, c=7.640 Å, and pseudo-cubic a c =3.826 Å) 25 at room temperature. The alternation of compressive and tensile strains, which are induced in BTO and CTO layers by STO (cubic, a=3.905 Å) substrates, respectively, can effectively cancel out their opposite-directional mechanical tension, so the (BTO)n/(CTO)n SLs might be expected to better preserve a fully strained state when the layer thicknesses are properly combined, as shown in Fig.…”

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confidence: 99%

Strain-coupled ferroelectric polarization in BaTiO3–CaTiO3 superlattices

Seo

Lee

2009

Applied Physics Letters

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We report on growth and ferroelectric (FE) properties of superlattices (SLs) composed of the FE BaTiO 3 and the paraelectric (PE) CaTiO 3 . Previous theories have predicted that the polarization in (BaTiO 3 )n/(CaTiO 3 )n SLs increases as the sublayer thickness (n) increases when the same strain state is maintained. However, our BaTiO 3 /CaTiO 3 SLs show a varying lattice-strain state and systematic reduction in polarization with increasing n while coherently-strained SLs with n=1, 2 show a FE polarization of ca. 8.5 µC/cm 2 . We suggest that the strain coupling plays more important role in FE properties than the electrostatic interlayer coupling based on constant dielectric permittivities. *

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“…The orthorhombic symmetry may be induced from cubic perovskites just by a tilting of regular, not distorted, oxygen octahedra, e.g., CaTiO 3 [20].…”

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Cooperative Jahn-Teller transition and resonant x-ray scattering in thin filmLaMnO3

et al. 2002

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Epitaxial thin films of stoichiometric LaMnO 3 were grown on SrTiO 3 (110) substrates using the pulsed laser deposition technique. From the high resolution x-ray diffraction measurements, the lattice parameters were determined as a function of temperature and the cooperative JahnTeller transition was found to occur at T JT =573.0 K. Also measured was resonant x-ray scattering intensity of the orthorhombic (100) peak of LaMnO 3 near the Mn K edge from low temperatures to above T JT . We demonstrate that the integrated intensity of the (100) peak is proportional to the 3/2 power of the orthorhombic strain at all temperatures, and thus provide an experimental evidence that the resonant scattering near the Mn K edge in LaMnO 3 is largely due to the JahnTeller effect.

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Orthorhombic perovskite CaTiO3 and CdTiO3: structure and space group

Cited by 217 publications

References 2 publications

Ferroelectric phase transition in orthorhombic CdTiO3: First-principles studies

Ferroelectric phase transition in orthorhombic CdTiO3: First-principles studies

Strain-coupled ferroelectric polarization in BaTiO3–CaTiO3 superlattices

Cooperative Jahn-Teller transition and resonant x-ray scattering in thin filmLaMnO3

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