Growth of bulk single crystals beta-FeSi2 by chemical vapour deposition

Bulk single crystals b-FeSi2, as a new photoelectric and thermoelectric material, has been successfully grown using chemical vapor transport technique by using iodine as transport agent in a sealed ampoule. The effects of crystal growth condition on quality and morphologies of the single crystals were studied. Both needle-like and grain-like single crystals were gained. By changing substrate temperature, tetrahedral high quality a-FeSi2 single crystals were also obtained.

Thermoelastic Stresses in SiC Single Crystals Grown by the Physical Vapor Transport Method

A finite element-based thermoelastic anisotropic stress model for hexagonal silicon carbide polytype is developed for the calculation of thermal stresses in SiC crystals grown by the physical vapor transport method. The composite structure of the growing SiC crystal and graphite lid is considered in the model. The thermal expansion match between the crucible lid and SiC crystal is studied for the first time. The influence of thermal stress on the dislocation density and crystal quality is discussed.

Modeling Ammonothermal Growth of GaN Single Crystals: The Role of Transport

Single crystal gallium nitride (GaN) is an important technological material used primarily for the manufacture of blue light lasers. An important area of contemporary research is developing a viable growth technique. The ammonothermal technique is an important candidate among many others with promise of commercially viable growth rates and material quality. The GaN growth rates are a complicated function of dissolution kinetics, transport by thermal convection and crystallization kinetics. A complete modeling effort for the growth would involve modeling each of these phenomena and also the coupling between these. As a first step, the crystallization and dissolution kinetics were idealized and the growth rates as determined purely by transport were investigated. The growth rates thus obtained were termed ‘transport determined growth rates’ and in principle are the maximum growth rates that can be obtained for a given configuration of the system. Using this concept, a parametric study was conducted primarily on the geometric and the thermal boundary conditions of the system to optimize the ‘transport determined growth rate’ and determine conditions when transport might be a bottleneck.

The inhomogeneity of plastic-deformation in ductile single-crystals

A discrete slip model which characterizes the inhomogeneity of material properties in ductile single crystals is proposed in this paper. Based on this model rate-dependent finite element investigations are carried out which consider the finite deformation, finite rotation, latent hardening effect and elastic anisotropy. The calculation clearly exhibits the process from microscopic inhomogeneous and localized deformation to necking and the formation of LSBS and reveals several important features of shear localization. For example, the inhomogeneous deformation is influenced by the imperfections and initial non-uniformities of material properties. The inhomogeneous deformation may either induce necking which results in the lattice rotation and leads to geometrical softening, which in turn promotes the formation of CSBS, or induces heavily localized deformation. The microscopic localized deformation eventually develops into the LSBS and results in a failure. These results are in close agreement with experiment. Our calculations also find that the slip lines on the specimen's surface at necking become curved and also find that if the necking occurs before the formation of LSBS, this band must be misoriented from the operative slip systems. In this case, the formation of LSBS must involve non-crystallographic effects. These can also be indirectly confirmed by experiment. All these suggest that our present discrete slip model offers a correct description of the inhomogeneous deformation characterization in ductile crystals.

Modeling of Ammonothermal Growth of Gallium Nitride Single Crystals

Ammonothermal growth of GaN crystals with a retrograde solubility has been modeled and simulated here using fluid dynamics, thermodynamics and heat transfer models. The nutrient is considered as a porous media bed and the flow in the porous charge is simulated using the Darcy-Brinkman-Forchheimer model. The resulting governing equations are solved using the finite volume method. For the case of retrograde solubility, the charge is put above the baffle. The temperature difference between the dissolving zone and growth zone is found smaller than that applied on the sidewall of autoclave. The baffle opening has a strong effect on the nutrient transport and supersaturation of GaN species in the growth zone.

A surface energy model and application to mechanical behavior analysis of single crystals at sub-micron scale

Size effects of mechanical behaviors of materials are referred to the variation of the mechanical behavior due to the sample sizes changing from macroscale to micro-/nanoscales. At the micro-/nanoscale, since sample has a relatively high specific surface area (SSA) (ratio of surface area to volume), the surface although it is often neglected at the macroscale, becomes prominent in governing the energy effect, although it is often neglected at the macroscale, becomes prominent in governing the mechanical behavior. In the present research, a continuum model considering the surface energy effect is developed through introducing the surface energy to total potential energy. Simultaneously, a corresponding finite element method is developed. The model is used to analyze the axial equilibrium strain problem for a Cu nanowire at the external loading-free state. As another application of the model, from dimensional analysis, the size effects of uniform compression tests on the microscale cylinder specimens for Ni and Au single crystals are analyzed and compared with experiments in literatures. (C) 2009 Elsevier B.V. All rights reserved.

Growth, characterization and optical quality of CaF2 single crystals grown by the temperature gradient technique

The CaF2 single crystals with diameters up to 200 mm were successfully grown by modified temperature gradient technique (TGT), which are suitable for application as optical elements in the ultraviolet range. The optimizations of various growth parameters were systematically studied. Properties of as-grown CaF2 crystals were characterized by the nature of inclusions, dislocations, crystallinity, and impurities contents. The results showed that the dislocations and multinucleation were mostly constrained in the conical part of the crystals with the cylindrical parts having the best crystalline quality and lowest impurity contents. The high optical quality of TGT-grown CaF2 single crystals was also confirmed to have excellent optical transmission in 190-2500 nm and refractive index homogeneity. (c) 2005 Elsevier Ltd. All rights reserved.

Raman spectra of undoped and uranium doped CaF2 single crystals

Raman scattering experiments for nominally pure and uranium doped CaF2 single crystals were presented. In all crystals, the Raman active T_(2g) vibration mode of CaF2 was observed, whose frequency shift and full-width at half-maximum (FWHM) broadening correspond well with defects and impurities in CaF2 lattice. Additional Raman peaks develop in nominally pure CaF2 with high etch pits density and U^(6+):CaF2 crystals. Part of additional Raman peaks in the experimental results, which are assumed due to vibration modes from F- interstitials and vacancies, are in well agreement with the theoretical predications by employing the Green-function formulation.

Crystal growth and optical properties of Gd1.99-xYxCe.0.01SiO5 single crystals

Gd1.99-xYxCe0.01SiO5 (Ce:GYSO) crystals (x = 0, 0.0995, 0.199) have been grown by the Czochralski (Cz) method. Crystal structure and the distribution coefficients of Ce have been determined for all three crystals. Spectroscopic measurements indicate that optical transmittance and luminescence intensity of Gd1.99-xYxCe0.01SiO5 (x = 0.0995, 0.199) crystals are Substantially higher than those of Ce:Gd2SiO5 (Ce:GSO), especially at x = 0.0995, which makes them good candidate materials for scintillation applications. The particularly important result is that the alloyed Ce:GYSO crystals can be grown easily by the Cz method and, unlike Ce:GSO, they do not undergo cleavage during the growth process or subsequent mechanical treatment. (c) 2005 Elsevier B.V. All rights reserved.

Effects of Yb concentration on the fluorescence spectra of Yb-doped YAlO3 single crystals

0.5 at.% Yb:YAlO3(YAP), 5 at.% Yb:YAP and 15 at.% Yb:YAP were grown using the Czochralski method. Their absorption and fluorescence spectra were measured at room temperature and their emission line shape was calculated using the method of reciprocity. It was observed that the fluorescence spectra changed appreciably with the increasing of Yb concentration. For 0.5 at.% Yb:YAP, the line shape of fluorescence is very similar with the calculated emission line shape; with the increasing of Yb doping concentration, the line shape of fluorescence is very different from the calculated emission line shape. These phenomena are caused by the strong self-absorption at 979 and 999 nm for Yb:YAP. (c) 2005 Elsevier B.V. All rights reserved.

Growth and characterization of new transparent conductive oxides single crystals beta-Ga2O(3): Sn

Tin oxide doped beta-Ga2O3 single crystals are recognized as transparent conductive oxides (TCOs) materials. They have a larger band gap (4.8 eV) than any other TCOs, thus can be transparent in UV region. This property shows that they have the potential to make the optoelectronic device used in even shorter wavelength than usual TCOs. beta-Ga2O3 single crystals doped with different Sn4+ concentrations were grown by the floating zone technique. Their optical properties and electrical conductivities were systematically studied. It has been found that their conductivities and optical properties were influenced by the Sn4+ concentrations and annealing. (c) 2006 Elsevier Ltd. All rights reserved.

Defects in U3+: CaF2 single crystals grown under different conditions by the temperature gradient technique

Defects in as-grown U3+ : CaF2 crystals grown with or without PbF2 as an oxygen scavenger were studied using Raman spectra, thermoluminescence glow curves, and additional absorption (AA) spectra induced by heating and gamma-irradiation. The effects of heating and irradiation on as-grown U3+: CaF2 crystals are similar, accompanied by the elimination of H-type centers and production of F-type centers. U3+ is demonstrated to act as an electron donor in the CaF2 lattice, which is oxidized to the tetravalent form by thermal activation or gamma-irradiation. In the absence of PbF(2)as an oxygen scavenger, the as-grown U3+:CaF2 crystals contain many more lattice defects in terms of both quantity and type, due to the presence of O2- impurities. Some of these defects can recombine with each other in the process of heating and gamma-irradiation. (c) 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Growth and spectral characterization of beta-Ga2O3 single crystals

Beta gallium oxide (beta-Ga2O3) single crystals were grown by the floating zone technique. The absorption spectra and the luminescence of the crystals were measured. The absorption spectra showed an intrinsic short cutoff edge around 260 nm with two shoulders at 270 and 300 nm. Not only the characteristic UV (395 nm), blue (471 nm) and green (559 nm) lights, but also the red (692 nm) light can be seen in the emission spectra. The deep UV light was attributed to the existing of quantum wells above the valence band and the red light was owed to the electron-hole recombination via the vicinity donors and acceptors. (c) 2006 Elsevier Ltd. All rights reserved.

Effects of gamma irradiation and air annealing on Yb-doped YAlO3 single crystals

The effects of gamma irradiation on as-grown 5 at% Yb:YAlO3 (YAP) and air annealing on gamma-irradiated 5 at% Yb: YAP have been studied by the difference in the absorption spectra before and after treatment. The gamma irradiation and air annealing led to opposite changes of the absorption properties of the Yb: YAP crystal. After air annealing, the gamma-irradiation effects were totally removed over the wavelength range 390-800 nm and the concentrations of Fe3+ and Yb3+ were slightly increased. For the first time, the gamma-irradiation-induced valence changes between Yb3+ and Yb2+ ions in Yb: YAP crystals have been observed. (c) 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of air annealing on the spectral properties of Ce : Y3Al5O12 single crystals grown by the temperature gradient technique

Five absorption hands, at 227, 300 340, 370 and 457nm, were observed in the optical absorption spectrum of Ce:Y3Al5O12 (Ce:YAG) crystals grown by the temperature gradient technique (TGT). The absorption bands at 227, 340, and 457 nm were identified Lis belonging to the Ce3+ -ion in the YAG crystal. A near UV optical emission band at 398nm was observed. with an excitation spectrum containing two bands, at 235 and 370nm. No fluorescence was detected under 300 nm excitation. The pair of absorption bands at 235 and 370 nm and the absorption band at 300 nm were attributed to the F- and F+-type color centers, respectively. The color centers model was also applied to explain the spectral changes in the Ce:YAG (TGT) crystal, including the reduction in the Ce 31 -ion absorption intensity, after annealing in an oxidizing atmosphere (air). (C) 2004 Elsevier B.V. All rights reserved.