A polar oxide ZnSnO3 was synthesized by a solid-state reaction under pressure of 7 GPa and temperature 1000 °C. The crystal structure determined Rietveld analysis the X-ray powder diffraction data. has rhombohedral LiNbO3-type with unit cell parameters, = 0.52622(1) nm, c 1.40026(2) nm (space group: R3c). is characterized large displacement Zn along c-axis in ZnO6 octahedron based on strong chemical bonding between three O. candidate piezoelectric pyroelectric material as well nonlinear...

Abstract We report that the orthorhombic–rhombohedral phase transition temperature in sodium potassium niobate could be tuned from lower to higher than room by incorporating barium zirconate into it. It is revealed when between 8 mol% and 15 mol%, solid solution exhibits rhombohedral symmetry at temperature. Rietveld analysis shows space group of R3m. suggested a relatively larger B‐cation favors low‐temperature which common phenomenon for perovskite ferroelectrics. (© 2009 WILEY‐VCH Verlag...

We synthesized two high-pressure polymorphs PbNiO(3) with different structures, a perovskite-type and LiNbO(3)-type structure, investigated their formation behavior, detailed structural transformation, thermal stability, valence state of cations, magnetic electronic properties. A at 800 °C under pressure 3 GPa crystallizes as an orthorhombic GdFeO(3)-type structure space group Pnma. The reaction high was monitored by in situ energy dispersive X-ray diffraction experiment, which revealed that...

Perovskite thin-film electroluminescence devices are prepared, opening up a new optical application of perovskite materials. With increasing driving voltage, the intensity increases dramatically. High-quality red color is produced and working voltage for whole-surface as low 10 V.

LiNbO(3)-type MnMO(3) (M = Ti, Sn) were synthesized under high pressure and temperature; their structures magnetic, dielectric, thermal properties investigated; relationships discussed. Optical second harmonic generation synchrotron powder X-ray diffraction measurements revealed that both of the compounds possess a polar structure at room temperature. Weak ferromagnetism due to canted antiferromagnetic interaction was observed 25 50 K for MnTiO(3) MnSnO(3), respectively. Anomalies in...

In the design of electron-transport layers (ETLs) to enhance efficiency planar perovskite solar cells (PSCs), facile electron extraction and transport are important features. Here, we consider effects different titanium oxide (TiO2) polymorphs, anatase brookite. We fabricate high-phase-purity, single-crystalline, highly conductive, low-temperature (<180 °C)-processed brookite-based TiO2 heterophase junctions on fluorine-doped tin (FTO) as substrate. test compare single-phase (A) brookite (B)...

Stabilization of a perovskite-type solid solution (1−x) PbTiO3–x BiScO3 with x⩾0.45 was demonstrated by high-pressure synthesis, and the phase diagram ferroelectric properties were investigated. The crystal symmetry perovskite subcell change in turn from tetragonal, to rhombohedral, pseudocubic, monoclinic, then triclinic as x increases. It found that pseudocubic phases are ferroelectric, while monoclinic is not. In morphotropic boundary vicinity x=0.37 between tetragonal rhombohedral...

Electron-transport layer (ETL)/perovskite interface modification plays a key task for producing efficient planar perovskite solar cells (PSCs). In this study, interfacial of compact TiO2 using novel, one-step hydrothermally synthesized single-crystalline anatase (AT) titania nanoparticles (TiO2 NPs) (average diameter = 6–10 nm) was applied as an ETL bilayer to enhance the charge generation and extraction eliminate electron–hole recombination ratio. We report here easy approach enhancing...

The synthesis of PbFeO2F is achieved using a solid-state reaction under high pressure. This perovskite crystallizes in SG Pm3̄m (No. 221) with = 0.39991 (1) nm. Rietveld refinement powder X-ray diffraction data shows that the mean structure this compound can be characterized as follows: Pb ion statically shifts from 1a Wyckoff position twelve 〈110〉 direction toward anions (O, F), and (2) Fe located single crystallographic site. In contrast, hyperfine estimated Mössbauer spectra at different...

A novel polar oxide of ZnSnO3 with LiNbO3-type structure has been investigated using first-principles density functional theory. The calculated pressure dependence the phase stability in ternary Zn2+Sn4+O2− system confirms experimental results and detailed mechanism pressure-induced transition (see Fig.). High spontaneous polarization 56.9 °C cm−2 is by Berry-phase approach, it attributed to large displacement Zn2+ its strong ionicity. Further improvement suggested enhancing covalency Sn4+ sites.

A high-quality polycrystalline sample of the correlated 4d post-perovskite CaRhO(3) (Rh(4+): 4d(5), S(el) = 1/2) was attained under a moderate pressure 6 GPa. Since is quenchable at ambient pressure/temperature, it can be valuable analogue MgSiO(3) (stable higher than 120 GPa and unstable pressure), which significant key material in earth science. The subjected for measurements charge-transport magnetic properties. data clearly indicate goes into an antiferromagnetically ordered state below...

We synthesized polycrystalline pristine and Pr(3+)-doped perovskites La(1/3)MO(3) (M = Nb, Ta):Pr(3+) investigated their crystal structure, optical absorption, luminescence properties. The band gap of La(1/3)NbO(3) (3.2 eV) is smaller than that La(1/3)TaO(3) (3.9 eV), which primarily due to the difference in electronegativity between Nb Ta. In La(1/3)NbO(3):Pr(3+), red emission assigned f-f transition Pr(3+) from excited (1)D(2) level ground (3)H(4) state upon photoexcitation (near-UV) was...

We executed a molecular dynamics simulation for the perovskite-type high Li ion conductor, La0.6Li0.2TiO3, using two different potential models, fully ionic model (FIM) and partially (PIM). Good reproducibility of physical properties was obtained PIM. While displacement from A-site indicated in both diffusion observed only PIM below 600 K. These results suggest that introduction small mobile into does not always induce conduction covalent character Ti−O bond is indispensable to conduction....

A new ternary platinum oxide, CaPtO3 was synthesized under a pressure of 7 GPa and temperature 1000 °C. The crystal structure determined by Rietveld analysis the X-ray powder diffraction data. has layered CaIrO3-type (orthorhombic, space group: Cmcm), which is same as that post-perovskite MgSiO3 in Earth's lower mantle. magnetic susceptibility data indicate Pt ion tetravalent low spin state with an electron configuration t2g6eg0 (S = 0). This finding consistent insulating behavior.

La0.61Li0.17TiO3 microstructures have been studied by high resolution electron microscopy. A local lattice distortion occurs in the vicinity of domain boundary region due to twin with an angle 89°. The average size is greater than 20 nm. and structures differ greatly from those La-poor compounds, such as La0.55Li0.35TiO3. At a nanoscopic level, microdomains 20–100 nm construct two-dimensional structure La-rich while 5–10 three-dimensional compounds. In addition, Li-ion conduction mechanisms...

A polar LiNbO3 (LN)-type oxide LiSbO3 was synthesized by a high-temperature heat treatment under pressure of 7.7 GPa and found to exhibit ferroelectricity. The crystal structural refinement using the data synchrotron powder X-ray diffraction neutron electronic structure calculation LN-type suggest covalent-bonding character between Sb O. When comparing distortion BO6 in ABO3, distortions SbO6 SnO6 ZnSnO3, which included B cation with d10 configuration, were smaller than those oxides having...

A perovskite Bi(Ni 1/2 Ti )O 3 was successfully synthesized under high pressure 6 GPa. This compound has orthorhombic cell with the parameters, a = 2 m sin( g /2) 0.5626(2) nm, b 4 1.5681(6) and c cos( 0.5548(2) nm containing eight monoclinic primitive unit 0.39507(7) 0.39203(15), 90.80(2), lattice distortion is expected to be antiferroelectric. In addition, sudden increase in dielectric constant accompanied by anomaly of loss observed at 490 K as temperature increases. though correspond...

A perovskite La0.59±0.01Li0.27±0.01TiO3.02±0.02 single crystal was grown by the floating zone method and its lithium ion conductivity measured. The found to be predominantly ionic. ionic conductivities at 300K parallel perpendicular c-axis are 5.8×10-4 6.8×10-4S·cm-1, respectively. anisotropy of corresponds that structure, i.e., distribution La ions. Furthermore, activation energy for conduction almost same as those a grain in polycrystalline samples, indicating evaluation samples appropriate.

We found that two lithium niobate-type oxides, CdPbO3 and PbNiO3 were synthesized by high-pressure as metastable low-pressure perovskite-type phases. then discussed the stability of oxides relative to with other structure for ABO3 compounds. Consequently, tolerance factor perovskite is not only predominant one determine crystal field effects 3d transition metal ions are also important.