Garnet-type Li7La3Zr2O12 (LLZO) is a solid electrolyte material with a low-conductivity tetragonal and a high-conductivity cubic phase. Using density-functional theory and variable cell shape molecular dynamics simulations, we show that the tetragonal phase stability is dependent on a simultaneous ordering of the Li ions on the Li sublattice and a volume-preserving tetragonal distortion that re...

in this research work the solid-solutions of (bi2o3)1-x (co2o3)x, [x= 0.05, 0.1] (1), (bi2o3)1-x (ho2o3) x, [x= 0.025, 0.05] (2), and (bi2o3)1-x-y (co2o3)x (ho2o3)y, [x=0.05] ; [y= 0.01, 0.02] (3) have been synthesized  using sol-gel method. the effects of transition metal oxides doping on the crystallization and phase transition of the bi2o3 were discussed by x-ray diffraction (xrd). the xrd p...

Systematic studies on three dimensionally ordered liquid crystalline phases of different cubic and tetragonal symmetries are presented. The structures of the phases are determined by reconstruction of the electron density distribution from the X-ray diffraction patterns. The known models for electron densities in cubic structures were used whereas a new theoretical model for the structure of th...

The high-pressure polymorphs of CuI have attracted much attention due to the somewhat contradictory identification of their structures by means of x-ray diffraction measurements and theoretical calculations. In this paper, we report the results of a theoretical investigation of polymorphs of CuI including zinc-blende, rhombohedral, tetragonal, rocksalt and orthorhombic phases. We find that CuI...

The stability and evolution of ferroelectric domain structures in thin films are studied. Elastic solutions are derived for both elastically anisotropic and isotropic thin films with arbitrary domain structures, subject to the mixed stressfree and constraint boundary conditions. These solutions are employed in a three-dimensional phase-field model to investigate simultaneously the effect of sub...

Electromechanical property measurements and microstructure observations using optical microscopy were performed on a [001] c oriented k33 resonator made of 91%Pb(Zn1/3Nb2/3)O3-9%PbTiO3 single crystal, which was polarized under different electric fields. At room temperature, when the poling field is 1100 V/mm, the electromechanical coupling factor k33 is 0.90 and piezoelectric coefficient d33 is...

Well-aligned, densely distributed ZrO2 nanorod arrays were fabricated using a non-catalytic, templatefree metal–organic chemical vapour deposition process at a reaction temperature of 1000 C. The reaction temperature was found to play a key role in product morphology, with particle thin films obtained at 550 C and nanorod arrays produced at 1000 C. Increasing the reaction temperature led to the...