Search results for "tetragonal crystal"
showing 10 items of 216 documents
Luminescence of oxygen related defects in zirconia nanocrystals
2007
The luminescence of undoped tetragonal structure ZrO2 nanocrystals was studied. The luminescence intensity depends on oxygen content in gases mixture in which the nanocrystals were annealed. The distorted Zr-O bond is suggested to be the recombination center for band carriers. The oxygen deficient defect is proposed to be responsible for photoluminescence. (© 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Theory of birefringence and spontaneous polarization in the tetragonal phase of PbTiO3 due to lattice deformation caused by the change of temperature
1995
The microscopic mechanism of birefringence in the tetragonal phase of PbTiO3 is discussed taking account of the dipole-dipole interaction (dipole-dipole effect) due to the ionic and electronic polarizations of the crystal and the spontaneous Kerr effect as a cause of the strong local field acting on the constituent ions, where the lattice deformation due to the change of temperature is also considered. For the spontaneous polarization we use only the first effect. It is found that the birefringence and the spontaneous polarization are in good agreement with the experimental data.
Preparation of thin films of the ternary heavy fermion system CeNi 2 Ge 2
1998
Ge2 layers on W(110). In order to produce well-ordered and atomically clean surfaces of the Ce-based intermetallic system the growth was performed under UHV conditions (p<2×10-11 mbar). Both the polycrystalline CeNi2Ge2 compound and the individual elements Ce, Ni, and Ge were used as evaporants. The characterisation of the layers was made with LEED, SEM, and XPS. We find a significant influence of the substrate temperature and the evaporation power on the growth characteristics. The compound material CeNi2Ge2 exhibits complicated behaviour when evaporated. Under carefully selected growth conditions we obtain well-ordered films with a stoichiometry of Ce:Ni:Ge=1:2:2 and a (001) oriented surf…
Non-Centrosymmetric Tetrameric Assemblies of Tetramethylammonium Halides with Uranyl Salophen Complexes in the Solid State
2010
Ditopic salophen-UO(2) receptors 1-4 and 7 co-crystallize with tetramethylammonium (TMA) chloride and fluoride salts producing good quality crystals amenable for X-ray diffraction characterization. The arrangement of the receptor and salt units in the crystal lattice is such that tetrameric ball-shaped assemblies are formed, where an inner cluster of four TMA cations are surrounded by an outer shell of four UO(2)-bound anions. These elaborate architectures, which occur in all cases, regardless of a certain degree of structural modification on the receptors, lead to lattices that belong to non-centrosymmetric (NCS) space groups. Interestingly, the tetragonal symmetry of the tetrameric ball-s…
X-ray powder diffraction study of the stability of solid solutions in LaO(Cl1−xBrx)
1997
Abstract The formation of solid solutions in the LaO(Cl 1− x Br x ) series was studied by X-ray powder diffraction (XPD), Rietveld profile refinement and bond valence calculations. The LaO(Cl 1− x Br x ) (0 ≤ x ≤ 1, step 0.2, and x = 0.5) powder samples were prepared by the solid state reaction between La 2 O 3 and a mixture of ammonium chloride and bromide. The X-ray powder diffraction patterns were collected at room temperature between 5 and 125° in 2Θ using Cu K α 1 radiation (λ = 1.5406 A). The XPD data between 20 and 90° were analyzed with the DBWS-9006PC Rietveld profile refinement program. All the LaO(Cl 1− x Br x ) phases studied crystallize in the tetragonal PbFCl-type structure wi…
Syntheses, structures and physical characterization of two new three-dimensional mixed-valence hexadecavanadate derivatives
2007
Abstract Two new hexadecavanadate derivatives, (bpy)[Zn(4,4′-bpy)2]2[H4ClV16O38]·6H2O 1 and (bpy)[Co(4,4′-bpy)2]2[H4ClV16O38]·6H2O 2 (bpy = 4,4′-bipyridine), were synthesized under the hydrothermal conditions and structurally characterized by IR, XPS and EPR spectroscopy, redox titration and single-crystal X-ray diffraction. The two compounds are isostructural and crystallize in the tetragonal non-centrosymmetric space group P-4n2 (No. 118) with a = 17.124(2), b = 17.124(2), c = 14.724(3) A, V = 4317.5(12) A3 and Z = 1 for the compound 1, and a = 17.038(2), b = 17.038(2), c = 14.754(3) A, V = 4282.9(12) A3 and Z = 1 for the compound 2. Compounds 1 and 2 were constructed from 4-connected {H4…
Characterization of the non-stoichiometry in lanthanum oxyfluoride by FT-IR absorption, Raman scattering, X-ray powder diffraction and thermal analys…
1997
Abstract The FT-IR absorption, FT-Raman scattering, X-ray powder diffraction (XPD), and thermogravimetry were used to explore the non-stoichiometry in LaOF. The TGA-DTA analyses between 30 and 1500°C showed that the LaO1 − xF1 + 2x phases yielded the stoichiometric LaOF as an intermediate product. The temperature of formation of the LaOF and La2O3 increased with increasing excess of fluoride. The room temperature XPD data in 6.5 ⩽ 2θ ⩽ 121° range were analyzed by the Rietveld profile refinement method and subsequently by the bond valence calculations. All LaO1 − xF1 + 2x phases possess the tetragonal PbFCl-type structure (space group: P4/nmm; Z = 2) while the stoichiometric LaOF has the hex…
Structural and magnetic properties of the solid solution series Sr2Fe1–xMxReO6(M = Cr, Zn)
2005
Strong correlations between the electronic, structural and magnetic properties have been found during the study of doped double perovskites Sr2Fe1−xMxReO6 (0 ≤ x ≤ 1, M = Zn, Cr). The interplay between the van Hove singularity and the Fermi level plays a crucial role for the magnetic properties. Cr doping of the parent compound Sr2FeReO6 leads to a non-monotonic behaviour of the saturation magnetization and an enhancement for doping levels up to 10%. The Curie temperatures monotonically increase from 401 to 616 K. In contrast, Zn doping leads to a continuous decrease in the saturation magnetization and the Curie temperatures. Superimposed on the electronic effects is the structural influenc…
Stability of Rare-Earth Oxychloride Phases: Bond Valence Study
2002
Abstract The crystal structures of the tetragonal rare earth ( RE ) oxychlorides, RE OCl ( RE =La–Nd, Sm–Ho, and Y) were studied by X-ray powder diffraction measurements, Rietveld analyses, and bond valence calculations. The tetragonal structure (space group P 4/ nmm , No. 129, Z =2) is stable for all but Er–Lu oxychlorides, which possess a hexagonal structure. The tetragonal structure consists of alternating layers of ( RE O) n n + complex cations and X n − anions, where the rare earth is coordinated to four oxygens and four plus one chlorines in a monocapped tetragonal antiprism arrangement. The Rietveld analyses yielded a coherent series of structural parameters. Preferred orientation an…
Iso-valence Co(II) and mixed-valence Co(II/III) tetranuclear complexes: Synthesis, structure, magnetic properties and DFT study
2013
Abstract The reaction of Co(ClO4)2·6H2O with symmetrical N4O3 coordinating heptadentate ligand (H3L) in presence of triethylamine yielded cobalt(II) tetranuclear complexes [Co4(L)2](ClO4)2, 1. When the same reaction is carried out with sodium azide instead of triethylamine afforded tetranuclear mixed-valence Co(II/III) species, [Co4(L)2(μ1,3–N3)2](ClO4)2, 2. Here L3− is the deprotonated form of 2,6-bis[{{(1-hydroxy-2-methylpropan-2-yl)(pyridine-2-ylmethyl)}amino}methyl]-4-methylphenol. Complex 1 crystallizes in the cubic system, space group Fd-3c, with unit-cell parameters a = b = c = 43.320(5) A, Z = 48, whereas complex 2 crystallizes in the space group I41/a in the tetragonal crystal syst…