Thermal characterization of KClO3 KBrO3 and KIO3

The specific heats, thermal decompositions and thermal properties of the phase transitions in KClO₃ KBrO₃ and KIO₃ crystals were measured. The thermal stability of the compounds decreased in the order KIO₃ > KCIO₃ > KBrO₃. Over the temperature range 250–600 K, no phase transitions were detected for KBrO₃: one at 545 K for KClO₃ and two for KIO₃ at 345 and 487 K.     

Growth and electrical performance of Pb(Mg1/3Nb2/3)O3-PbTiO3-Pb(Fe1/2Nb1/2)O3 single crystals

For the first time, we have grown ferroelectric single crystals Pb(Mg_1/3Nb_2/3)O₃-PbTiO₃-Pb(Fe_1/2Nb_1/2)O₃ (PMN-PT-PFN) from the melt by the simple slow cooling process. The chemical composition of the single crystals PMN-PT-PFN (0.59/0.31/0.10) is near the morphotropic phase boundary (MPB). X-ray diffraction (XRD) was used to study phase structure of the as-grown crystals, energy dispersive X-ray spectrometer (EDS) and electron probe micro-analyzer (EPMA) were employed to confirm the chemical composition and element distribution of the as-grown crystals, respectively. The ferroelectric, dielectric and piezoelectric properties of the as-grown PMN-PT-PFN (0.59/0.31/0.10) single crystal oriented along the (0 0 1) axis were measured, which showed that the remnant polarization (P_r), coercive electric fields (E_c), the Curie temperature (T_c) and the piezoelectric coefficient (d₃₃) were 50.2 μC/cm², 13.9 kV/cm, 158 °C and about 1800 pC/N, respectively. All the results indicated that the PMN-PT-PFN (0.59/0.31/0.10) single crystals are promising for applying to field of high frequency.     

Flux growth of single magnetic sublattice antiferromagnetic garnets Ca3 Fe2 Ge3 O12 and Ca3 Mn2 Ge3 O12

Magnetic single crystals garnets Ca₃ X₂ Ge₃ O₁₂ with X = Mn³⁺ or Fe³⁺ containing Ca²⁺ and Ge⁴⁺ are of great interest due to the rise of an antifer-romagnetic order in one definite octahedral site. The optimal conditions for obtaining single magnetic-sublattice garnets of large size (1 cm in diameter) have been analyzed. Two groups of solvents have been tested: Bi₂ O₃ or PbO based flux. The best results were obtained with PbO flux and starting composition : % Moles 44 PbO 1b 35 GeO₂ 1b 15 CaO 1b 6 X₂ O₃.     

Monophase domain, fibers single crystals grown by the micro-pulling down technique and optical characterisation of LiGd1−xYbx(WO4)2

We have determined the single phase domain of LiGd_1−xYb_x(WO₄)₂. The lattices parameters decrease as a function of Yb³⁺ substitution in Gd³⁺ sites. Transparent LiGd_1−xYb_x(WO₄)₂ fibers single crystals were successfully grown by the micro-pulling down technique (μ-PD). The Yb³⁺-doped LiGd(WO₄)₂ fibers single crystals have been pulled under stationary stable growth conditions corresponding to flat crystallization interface with meniscus length equal to 120 μm. The fibers diameters varied from 0.5 to 1 mm depending on the capillary die diameter, pulling rate and the molten zone temperature. Fibers single crystals free of defects are observed for Ytterbium concentration in the melt up to 5 at%. Above this limit, inclusions and cracks appear and the optical quality of the fibers were deteriorated. The emission spectra of Yb³⁺-doped LiGd(WO₄)₂ were investigated.     

Growth and characterization of non-linear optical crystal Cd3Zn3B4O12

Cd₃Zn₃B₄O₁₂ polycrystals were synthesized by solid-state and wet chemical reaction methods. Cd₃Zn₃B₄O₁₂ single crystals with millimeter grade were grown from the self-flux B₂O₃ (Cd:Zn:B = 1:1:1.5); and larger crystals were obtained from the PbO-0.85PbF₂ fluxes easily. As-grown crystals were characterized by differential scanning calorimetry and thermogravimetric, X-ray diffraction, infrared and Raman spectral analysis, respectively. The non-linear optical coefficient of the Cd₃Zn₃B₄O₁₂ crystal is 2.6 times as large as that of KH₂PO₄ crystal. Chemical etching shows that this crystal is very stable in neutral solution and not hygroscopic in air at room temperature.     

The perfection of bridgman-grown Bi4Ge3O12 crystals

Single crystals of Bi₄Ge₃O₁₂ were grown by the vertical Bridgman technique. As shown by X-ray diffraction line profiles these crystals exhibit a very high degree of perfection. Bi₄Ge₃O₁₂ is used as detector material for high energy radiation. Very perfect crystals are preferred because defects play a prominent role in radiation damage.     

Basic study of single crystal fibers of Pr:Lu3Al5O12 scintillator for gamma-ray imaging applications

Single-crystalline fibers were grown from 0.25, 0.70, and 1.50 mol% Pr-doped Lu₃Al₅O₁₂ (LuAG) melts by the micro-pulling down (μ-PD) method with a diameter of 0.3-0.5 mm and a length of about 200 mm. They were cut to 10 mm long specimens, and their scintillation properties, including light yield and decay time profile, were examined. These results were compared with corresponding properties of the specimens (0.8×0.8×10 mm³) cut from the bulk crystals produced by conventional Czochralski (CZ) growth. The μ-PD-grown fibers demonstrated relatively low light yield and had the same decay time constant when compared with those of the samples cut from the CZ-grown crystals. The fiber crystals were used to assemble scintillating arrays with dimensions of Ø 0.5×10 mm²×20 pixels and Ø 0.3×10 mm²×30 pixels coated by a BaSO₄ reflector. After optical coupling with a position sensitive photomultiplier tube, the fiber-based arrays demonstrated acceptable imaging capability with a spatial resolution of about 0.5 mm.     

Preparation and properties of the Pb3(VO4)2Pb3(PO4)2 system

Single crystals of the pseudobinary system Pb₃(V_1?xP_xO₄)₂ were grown via the Czochralski technique and were studied over wide ranges of x, particularly with regard to the influence of substitution on the $\text{3}\text{?}\text{mF}\text{2}\text{m}$ transition as a function of temperature.     

Single crystal growth of α-Bi2O3

Single crystals of α-Bi₂O₃ were grown by the pulling method from melts containing 6.25 mol % of Li₂O. The addition of Li₂O to Bi₂O₃ melt lowers the melting point below the cubicmonoclinic phase transition point and makes it possible to obtain crack-free α-Bi₂O₃ single crystals. The purity of starting materials has great influence on the quality of crystals. The crystal is optically positive and the refractive indices are n_x=2.574, n_y=2.659 and n_z=2.786 at the wavelength of 0.589 μm.     

Effective electromagnetic interference shielding by electrospun carbon fibers involving Fe2O3/BaTiO3/MWCNT additives

Carbon fibers were prepared as an electromagnetic interference shielding material by electrospinning and heat treatment methods. To increase the electromagnetic shielding effectiveness, additives (Fe₂O₃/BaTiO₃/multi-walled carbon nanotubes) were included due to their excellent dielectric and coercive force properties. The additives were observed to cluster on the surface of fibers; additive metal oxides did not show any structural changes during the heat treatment, retaining their original magnetic properties. The permittivity of the materials improved significantly as a result of the added carbon nanotubes and their high electrical conductivity. Magnetic properties such as saturated magnetization and coercive force were also improved by the presence of Fe₂O₃/BaTiO₃, which enhanced the permeability. The improved permittivity and permeability significantly contributed to effective shielding of electromagnetic interference measured at 37 dB.     

Crystallization of CaHf1? x Zr x Ti2O7 (0?≤ x ≤?1) zirconolite in SiO2–Al2O3–CaO–Na2O–TiO2–HfO2–ZrO2–Nd2O3 glasses

Glass-ceramics containing (Hf,Zr)-zirconolite crystals (nominally CaHf_1−x Zr _x Ti₂O₇ with 0 ≤ x ≤ 1) were envisaged to immobilize minor actinides and plutonium. Such materials were prepared in this study by controlled crystallization of glasses belonging to the SiO₂–Al₂O₃–CaO–Na₂O–TiO₂–HfO₂–ZrO₂–Nd₂O₃ system. Neodymium was used as trivalent actinides surrogate. The effect of total or partial substitution of ZrO₂ by HfO₂ (neutron poison for fission reactions) on glass crystallization in the bulk and near the surface is presented. It appeared that Hf/Zr substitution had not significant effect on nature, structure, and composition of crystals formed both on glass surface (titanite + anorthite) and in the bulk (zirconolite). This result can be explained by the close properties of Zr⁴⁺ and Hf⁴⁺ ions and by their similar structural role in glass structure. However, strong differences were observed between the nucleation rate I_Z of zirconolite crystals in glasses containing only HfO₂ and in glasses containing only ZrO₂. Hf-zirconolite (CaHfTi₂O₇) crystals were shown to nucleate only very slowly in comparison with Zr-zirconolite (CaZrTi₂O₇) crystals. Composition changes - by increasing either HfO₂ or Al₂O₃ concentration or by introducing ZrO₂ in parent glass - were performed to increase I_Z in hafnium-rich glasses. The proportion of Nd³⁺ ions incorporated in the zirconolite phase was estimated using ESR.     

Magnetic, electrical, and optical properties of (HgS)1.5(Al2S3)0.5?Mn? and (HgS)1.5(In2S3)0.5?Mn? crystals

We have studied the magnetic, electrical, and optical properties of (HgS)_1.5(Al₂S₃)_0.5〈Mn〉 and (HgS)_1.5(In₂S₃)_0.5〈Mn〉 crystals and determined their magnetic and band structure parameters. The magnetic (Faraday method) and transport (four-probe method) properties of the (HgS)_1.5(Al₂S₃)_0.5〈Mn〉 and (HgS)_1.5(In₂S₃)_0.5〈Mn〉 crystals were investigated in the ranges T = 77−300 K and H = 20−320 kA/m. The magnetic susceptibility data suggest that the magnetic properties of the crystals can be understood in terms of Mn-S-Mn-S clusters. The Hall coefficient of the crystals is temperature-independent. The electrical conductivity of (HgS)_1.5(Al₂S₃)_0.5〈Mn〉 varies little with temperature and has a maximum, and that of (HgS)_1.5(In₂S₃)0.5〈Mn〉 shows metallic behavior and is a nearly linear function of temperature. The thermopower of the crystals increases with temperature. Optical data attest to direct allowed interband optical transitions. The magnetic and band structure parameters of the crystals are determined.     

Glass-recrystallization of ferroelectric Pb5Ge3O11

Thin plate-like crystals of ferroelectric Pb₅Ge_3?xSi_xO₁₁ (0 ≤ x ≤ 1.5) were prepared by a glass-recrystallization technique during which the glass was heat-treated at 600 to 720°C. The crystals show preferred orientation with the polar c-axis perpendicular to the sample surface, an ideal geometry for pyroelectric infrared detectors.     

第一性原理对CaTiO3和CaCu3Ti4O12的对比研究

通过Ca替换CaCu_3Ti_4O_(12)晶胞中的所有Cu,建立了包含TiO6八面体扭转的CaTiO3;通过Cu替换CaTiO32×2×2超胞中3/4的Ca,建立了不包含CuO_4正方形的CaCu_3Ti_4O_(12)。采用Materials Studio软件的CASTEP模块,对比了上述晶体和标准晶体成键状况、能带结构、态密度及介电函数,分析了TiO6八面体扭转和CuO_4正方形的影响,发现了Cu-O键或CuO_4正方形对CaCu_3Ti_4O_(12)光频介电常数的关键性作用。研究结果提供了通过内禀机制优化CaCu_3Ti_4O_(12)材料介电性能的新途径。     

α-Pb3(PO4)2 — A pure ferroelastic

Single crystals of Pb₃(PO₄)₂ were grown by the Czochralski technique. Transparent oriented crystal sections exhibit a pattern of ferroelastic domains which are readily movable with applied external stress. The high-temperature parent phase, β-Pb₃(PO₄)₂, transforms to the α modification at 180°C. _This transformation corresponds to the Aizu (1) species, 3mF2/m, which supports full ferroelasticity. The predicted number of domain walls have been observed.     

Electric-field-induced strain and piezoelectric properties of a high Curie temperature Pb(In1/2Nb1/2)O3-PbTiO3 single crystal

The temperature dependence of dielectric and piezoelectric properties, electric-field-induced strains of 0.66 Pb(In_1/2Nb_1/2)O₃-0.34 PbTiO₃ single crystals, which were grown directly from melt by using the modified Bridgman technique with the allomeric Pb(Mg_2/3Nb_1/3)O₃-PbTiO₃ seed crystals, were determined as a function of crystallographic orientation with respect to the prototypic (cubic) axes. Ultrahigh piezoelectric response (d₃₃∼2000 pC/N, k₃₃∼94%) and strain levels up to 0.8%, comparable to rhombohedral (1−x)Pb(Mg_2/3Nb_1/3)O₃-xPbTiO₃ and (1−x)Pb(Zn_2/3Nb_1/3)O₃-xPbTiO₃ single crystals, were observed for the 〈0 0 1〉-oriented crystals. Strain levels up to 0.47% and piezoelectric constant d₃₃∼1600 pC/N could be achieved being related to an electric-field-induced rhombohedral-orthorhombic phase transition for the 〈1 1 0〉-oriented crystals. In addition, high electromechanical coefficients k₃₃ (∼88%) can be achieved even heating to 110 °C. High T_C (∼200 °C), large electromechanical coefficients k₃₃ (∼94%) and low dielectric loss factor (∼1%), along with large strain make the crystals promising candidates for a wide range of electromechanical transducers.     

K2(Rb2,Cs2,Tl2)TeBr6(I6) and Rb3(Cs3)Sb2(Bi2)Br9(I9) perovskite compounds

We systematize available experimental data on the crystal structure of the ternary halides K₂(Rb₂,Cs₂,Tl₂)TeBr₆(I₆) and Rb₃(Cs₃)Sb₂(Bi₂)Br₉(I₉), analyze the general trends in the properties of their single crystals, and examine the key features of the physicochemical interaction in related systems.     

Preparation and some properties of rare earth iron borates,RFe3 (BO3)4

A new series of rare earth iron borates having the general formula RFe₃(BO₃)₄ (R=Y, Nd, Sm, Gd, Dy or Ho) was synthesized. The compounds were isostructural with huntite, CaMg₃(CO₃)₄, like other rare earth double borates, RM₃(BO₃)₄, M=A1 or Ga. Single crystals of Y and Gd compounds were grown by the flux method. Thermomagnetic measurements indicated that all the compounds are paramagnetic and have no spontaneous magnetization between 78°K and 730°K.     

Scintillation and optical properties of Pb-doped YCa4O(BO3)3 crystals

This communication reports optical properties and radiation responses of Pb²⁺ 0.5 and 1.0 mol%-doped YCa₄O(BO₃)₃ (YCOB) single crystals grown by the micro-pulling-down (μ-PD) method for neutron scintillator applications. The crystals had no impurity phases according to the results of X-ray powder diffraction. These Pb²⁺-doped crystals demonstrated blue-light luminescence at 330 nm because of Pb²⁺¹S₀-³P_0,1 transition in the photoluminescence spectra. The main emission decay component was determined to be about 250-260 ns under 260 nm excitation wavelength. When irradiated by a ²⁵²Cf source, the relative light yield of 0.5% Pb²⁺-doped crystal was about 300 ph/n that was determined using the light yield of a reference Li-glass scintillator.     

A Model for the Crystal Growth of YBa2Cu3Oy

The crystal growth and crystal morphology are very important properties of YBa₂Cu₃O _y superconductors. In this work, we approach these problems with polycrystals. Several typical crystal morphologies were observed by scanning electron microscopy, and the terraced crystals with a layer-by-layer structure were found to be the major form for the well-grown YBa₂Cu₃O _y . To interpret the results, a step-growth model was proposed. In this model, each crystal terrace is close-packed with crystal particles in order. And the particles, each consisting of tens of crystal cells, are movable during crystal growth. Particles at edges or margins of small crystals can move to their larger neighboring crystals through diffusion. With this particle diffusion, small crystals vanish and large crystals grow larger. This proposed model is confirmed by experimental observations.