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Linear optical susceptibility and clamped linear electro-optical tensor coefficients of tetragonal BaTiO3 are calculated using a formalism based on bond charge theory. Calculated values are in close agreement with experimental data. The covalent Ti-O bonds constituting distorted TiO6 octahedral groups are found to be major contributors to the electro-optic coefficients making them more sensitive than...
Linear electro-optical tensor coefficients and optical susceptibility of tetragonal KNbO3 are calculated using a formalism based on bond charge theory. Results are in close agreement with the experimental data. The covalent Nb-O bonding network comprising the distorted NbO6 octahedral groups in the structure is found to be a major contributor to the electro-optic coefficients making these groups more...
Structural behaviour of silver nitrate (AgNO3) at low temperatures has been investigated by neutron powder diffraction and differential scanning calorimetry (DSC). Analysis showed abnormal changes in the rotations of nitrate (NO3) anions and thermal displacement parameters of the atoms near 220 K and 125 K. However, the basic lattice is compatible with the orthorhombic symmetry (space group Pbca)...
Herein we report the results of detailed crystallographic studies of Ca1−xBaxZr4P6O24 compositions from combined Rietveld refinements of powder X-ray and neutron diffraction data. All the studied compositions crystallize in rhombohedral lattice (space group R-3 No. 148). A continuous solid solution is concluded from the systematic variation of unit cell parameters. The variation of unit cell parameters...
Here we report the results of combined powder X-ray and neutron diffraction studies of Bi4−xNdxTi3O12 (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) Å3. This orthorhombic lattice is retained in all the studied compositions. The unit cell parameters...
The synthesis of materials and the studies of crystal structure and 57Fe Mössbauer effect were performed for Tb0.27Dy0.73(Fe1−xCox)2 intermetallics. Terfenol-D (Tb0.27Dy0.73Fe2) is the starting compound of this Fe/Co-substituted series. X-ray measurements showed evidence of a pure cubic Laves phase C15, MgCu2-type, and unit cell parameters were determined across the series. A Co substitution introduced...
Microstructure of chemically synthesized wurtzite-type CdS nanocrystals have been investigated by X-ray diffraction (XRD) peak profile analysis by applying different forms of Williamson–Hall (WH) method viz., uniform deformation model (UDM), uniform stress deformation model (USDM) and uniform deformation energy density model (UDEDM), and transmission electron microscope (TEM) observations. The WH...
Nickel–zinc ferrites with the general chemical formula, $$\hbox {Ni}_{0.3}\hbox {Zn}_{0.7-x}\hbox {Mg}_{x}\hbox {Fe}_{2}\hbox {O}_{4}$$ Ni 0.3 Zn 0.7 - x Mg x Fe 2 O 4 with x varying from 0.00 to 0.25 in steps of 0.05, have been prepared by conventional solid-state method. Final sintering of the samples was carried out at $$1200{^{\circ }}\hbox {C}$$ 1200 ∘ C ...
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