ChemInform Abstract: Study of Phase Transformation in BaTe2O6 by in situ High‐Pressure X‐Ray Diffraction,Raman Spectroscopy,and First‐Principles Calculations.

The title compound is synthesized by solid state reaction of a stoichiometric mixture of BaCO₃ and TeO₂ (air, 550 °C for 6 h, and 650 °C for 12 h).     

A coupled zigzag theory for the dynamics of piezoelectric hybrid cross-ply plates

A recently developed coupled third-order zigzag theory for the statics of piezoelectric hybrid cross-ply plates is extended to dynamics. The theory combines a third-order zigzag approximation for the in-plane displacements and a sub-layerwise linear approximation for the electric potential, considering all components of the electric field. The nonuniform variation of the transverse displacement due to the piezoelectric field is accounted for. The conditions for the absence of shear traction at the top and bottom surfaces and continuity of transverse shear stresses in the presence of electromechanical loading are satisfied exactly, thereby reducing the number of displacement variables to five, which is the same as in a first- or third-order equivalent single-layer theory. The governing equations of motion are derived from the extended Hamilton's principle. The theory is assessed by comparing the Navier solutions for the free and forced harmonic vibration response of simply supported plates with the exact three-dimensional piezoelasticity solutions. Comparisons for hybrid test, composite and sandwich plates establish that the present theory is quite accurate for the dynamic response of moderately thick plates.     

Electrical and Dielectric Characteristics of BiSmO3

Physics of the Solid State - The synthesis of the perovskites BiSmO3 was done by the solid-state reaction method. In this communication, the structural and detailed electrical (dielectric,...     

Cation disorder and structural studies on Bi4−x Nd x Ti3O12 (0.0≤x≤2.0)

Here we report the results of combined powder X-ray and neutron diffraction studies of Bi_4?x Nd _x Ti₃O₁₂ (0.0 ≤ x ≤ 2.0) compositions. The parent Bi₄Ti₃O₁₂ has an orthorhombic lattice (space group: B2cb) with unit cell parameters a = 5.4432(5) Å, b = 5.4099(5) Å and c = 32.821(2) Å, and V = 966.5(1) ų. This orthorhombic lattice is retained in all the studied compositions. The unit cell parameters gradually decrease with Nd³⁺ ion concentration with a discontinuity at x = 0.75. Orthorhombicity of the lattice decreases with increase in Nd³⁺ content in the lattice. The orthorhombic unit cell parameters for a representative Bi₂Nd₂Ti₃O₁₂ composition are: a = 5.3834(9), b = 5.3846(9) and c = 32.784(1) Å. The observed orthorhombic distortion at x = 2.0 is very small and thus the crystal structure apparently has a pseudo-tetragonal lattice. In addition, Nd³⁺ preferentially substitutes in the perovskite slab of the Aurivillius structure. The fraction of Nd³⁺ in the fluorite slab increases with increase in Nd³⁺ contents.     

Study of phase transition and volume thermal expansion in a rare-earth (RE) oxyfluoride system by high-temperature XRD (RE=La, Nd, Sm, Eu and Gd)

Volume thermal expansion behaviour of a number of rare-earth oxyfluorides (REOF) have been studied using high-temperature X-Ray diffractometry (HT-XRD) in the 298–1075 K range in air. The studies revealed an anomalous expansion for each compound associated with phase transition. The phase transition temperature and the coefficient of volume thermal expansion of five compounds in REOF series determined by this method are reported and compared with our earlier results obtained by dilatometry.     

Studies of structure,dielectric and conduction mechanism of Bi3+/Yb3+ modified BaTiO3

The present communication aims at the study of the structural, dielectric, electrical and conduction properties of Bi³⁺/Yb³⁺ substituted BaTiO₃ with a chemical composition of Ba_0.5Bi_0.5Yb_0.5Ti_0.5O₃. The modified BaTiO₃, could be synthesized by a solid state reaction technique. The X-ray diffraction data and pattern revealed the formation of the above compound with tetragonal crystal system. The material's molecular structure (Ba–Ti–O bond, O–Ti–O stretching-mode, metal-oxygen bond, optical band gap, and so on) was determined using room temperature Fourier transform infrared (FTIR) and UV–visible spectroscopic spectra. Detailed investigations of the material's electrical (dielectric/leakage current and impedance) behavior over a wide temperature (25⁰C–500⁰C) and frequency (1 kHz–1000 kHz) range revealed the presence of capacitive, resistive, and conductive mechanisms. On the investigation of the polarization-electric field (P-E) hysteresis loop on multiple substitution, the change of ferroelectric polarization (spontaneous and residual) and storage density of BaTiO₃ was observed. Defect chemistry of the modified barium compound has been discussed in the details.     

Role of Annealing Atmosphere on Structure,Dielectric and Magnetic Properties of La2CoMnO6 and La2MgMnO6

Polycrystalline samples of La₂MMnO₆ (M = Co and Mg) were prepared by a combined gel‐combustion and high temperature reaction method. The samples were annealed in different oxygen partial pressure (p_O2) and characterized by powder XRD, SQUID magnetometry, ac impedance spectroscopy, and electron paramagnetic resonance techniques. Monoclinic (P2₁/n) and rhombohedral (R$\bar{3}$ ) lattices were observed for La₂CoMnO₆ and La₂MgMnO₆, respectively. On annealing in inert atmosphere, La₂MgMnO₆ partially converted to monoclinic La₂CoMnO₆ type structure, whereas no structural change was observed in La₂CoMnO₆. Dielectric studies of La₂CoMnO₆ indicated relaxor like behavior with polaronic conduction, which systematically decreased with the increase in p_O2 of the annealing atmosphere. Magnetic studies indicated multiple ferromagnetic phase transitions in La₂CoMnO₆ and a spin‐glass like phase transition in La₂MgMnO₆. The fraction of ferromagnetic phases of La₂CoMnO₆ was significantly dependent on the annealing environments. The variations of magnetic and dielectric properties of samples were related to the fluctuation of oxidation state of transition metal ions and oxygen vacancies in the samples.     

High pressure investigation on double perovskite Ba2MgWO6

The results of high-pressure angle dispersive X-ray diffraction measurements up to 34.3 GPa on the double perovskite Ba₂MgWO₆ are presented. The ambient rock salt phase (SG: Fm-3m) is found to be stable up to the highest pressure of the present measurements. The third order Birch-Murnaghan equation of state when fitted to pressure-volume data, yielded a zero pressure bulk modulus (B₀),and its first and second pressure derivatives as 137.0(81) GPa, and 3.9(5) and −0.03 GPa⁻¹, respectively.