0000000000700432
AUTHOR
Yu. Zagorodniy
Gallium preference for the occupation of tetrahedral sites in Lu3(Al5-xGax)O12multicomponent garnet scintillators according to solid-state nuclear magnetic resonance and density functional theory calculations
Abstract In this study, the distributions of aluminum and gallium atoms over the tetrahedral and octahedral sites in the garnet structure were investigated in mixed Lu3Al5-xGaxO12 crystals by using 27Al and 71Ga magic angle spinning nuclear magnetic resonance (NMR) and single crystal 71Ga NMR. The experimental study was supported by theoretical calculations based on density functional theory (DFT) in order to predict the trends in terms of the substitutions of Al by Ga in the mixed garnets. Both the experimental and theoretical results indicated the non-uniform distribution of Al and Ga over the tetrahedral and octahedral sites in the garnet structure, with a strong preference for Ga occupy…
Chemical disorder and Pb207 hyperfine fields in the magnetoelectric multiferroic Pb(Fe1/2Sb1/2)O3 and its solid solution with Pb(Fe1/2Nb1/2)O3
We report on the results of magnetic susceptibility, electron paramagnetic resonance, and $^{207}\mathrm{Pb}$ nuclear magnetic resonance (NMR) studies of the magnetoelectric multiferroic $\mathrm{Pb}(\mathrm{F}{\mathrm{e}}_{1/2}\mathrm{S}{\mathrm{b}}_{1/2}){\mathrm{O}}_{3}$ (PFS) ceramic, as well as its solid solution with $\mathrm{Pb}(\mathrm{F}{\mathrm{e}}_{1/2}\mathrm{N}{\mathrm{b}}_{1/2}){\mathrm{O}}_{3}$ (PFN) of different degrees of the 1:1 ordering of magnetic $\mathrm{F}{\mathrm{e}}^{3+}$ and nonmagnetic $\mathrm{S}{\mathrm{b}}^{5+}$ ions. The ordering has been studied by x-ray diffraction (XRD) and NMR methods. In particular, two spectral lines, originating from the ordered and dis…
Crystal structure transformations induced by surface stresses in BaTiO3and BaTiO3@SiO2nanoparticles and ceramics
International audience; Lattice structure transformations in nanopowders of ferroelectric BaTiO3 and BaTiO3@SiO2 core-shell nanostructured ceramics were studied by nuclear magnetic resonance (NMR) and electron paramagnetic resonance (EPR) at the temperatures 120–450 K and particle size of 300 and 500 nm. NMR spectra of all studied samples in the paraelectric phase are identical to the spectra in bulk material indicating their perfect perovskite structure without visible influence of particle surface. However, we have found that surface of particles essentially influence the ferroelectric phase transitions detected by both NMR and EPR techniques. The strongest changes as compared to bulk mat…