Nd:YVO4 crystal growth by Czochralski technique with a submerged plate

This paper is to investigate the growth of Nd:YVO₄ (yttrium vanadate) crystal by the modified Czochralski technique with a submerged plate. Numerical studies are performed to examine melt convection and heat transfer during Nd:YVO₄ growth. The attention is paid to study the effects of initial elevation of the submerged plate, crystal diameter, and melt level on melt inclusions. It is found that the increase in crystal rotation rate and crystal diameter, and the decrease in melt level will increase the axial temperature gradient at the edge and in the center of the crystal, and change the interface shape from convex to flat. The experiments are also carried out to confirm the feasibility of the proposed new technique for controlling melt inclusions in Nd:YVO₄ crystal growth.     

Influence of crucible geometry and position on the induction heating process in crystal growth systems

A series of 2D finite element numerical simulations of induction heating process for an oxide Czochralski crystal growth system has been done for different shapes and locations of a metal crucible. Comparison between the computational results shows the importance of crucible shape, geometry and its position with respect to the RF-coil on the electromagnetic field and heat generation distribution in the growth setup.     

Global simulation of coupled carbon and oxygen transport in a Czochralski furnace for silicon crystal growth

For accurate prediction of carbon and oxygen impurities in a single crystal produced by the Czochralski method, global simulation of coupled oxygen and carbon transport in the whole furnace was implemented. Both gas-phase transportation and liquid-phase transportation of oxygen and carbon were considered. With five chemical reactions considered, SiO and CO concentrations in gas and C and O atom concentrations in silicon melt were solved simultaneously. The simulation results show good agreement with experimental data.     

Growth of Na modified potassium lithium niobate crystal by the Czochralski method

Transparent Na modified potassium lithium niobate (Na_0.23K_2.60Li_1.82Nb_5.35O_15.70; NKLN) crystal was successively grown by the Czochralski method using RF induction heating from melt composition Na₂O:K₂O : Li₂O:Nb₂O₅=2:30:25:43 mol%. NKLN crystal showed a tetragonal tungsten bronze structure with lattice constants a=12.5446±0.0010 Å and c=4.0129±0.0005 Å at room temperature. The dielectric constant along the c-axis ε₃₃ showed a sharp maximum around 480 °C. Optical transmission edge was 370 nm and optical transmission spectra showed no absorption at wavelengths ranging from 380 to 800 nm. The structural and optical properties of NKLN were similar to those of the near stoichiometric KLN crystals. We believe that the growth of NKLN by the Czochralski method has an advantage for a large size and high-quality crystal.     

Numerical study to investigate the effect of partition block and ambient air temperature on interfacial heat transfer in liquid bridges of high Prandtl number fluid

Surface heat transfer at the liquid–air interface in liquid bridges of high Prandtl number fluid is known to affect the transitional characteristics appreciably. The heat transfer characteristics under microgravity conditions become much different from those of normal gravity mainly due to the absence of natural convection. The present study deals with numerical computations of flow and heat transfer characteristics in the liquid and surrounding air and also at the liquid–air interface of thermocapillary flow in liquid bridges of high Prandtl number fluid. The governing equations are solved in the coupled domain of the liquid bridge and the surrounding air with the help of available commercial CFD software. The results obtained for a range of Marangoni numbers indicate that by placing a partition block in the air region under normal gravity conditions, the surface heat transfer characteristics of microgravity conditions could be effectively mimicked. The effect of ambient temperature on the surface heat transfer has also been investigated and it has been found that the behavior of heat transfer at the interface changes from heat loss to heat gain when the ambient temperature is increased. Moreover, the presence of partition block under normal gravity suppresses surface heat loss as well as surface heat gain similar to microgravity conditions. Streamlines and temperature contours have been presented for various conditions in order to clarify the underlying physics more meaningfully. The computed profiles for velocity and temperature at the liquid–air interface have been validated against established experimental results.     

Numerical study of induction heating in melt growth systems—Frequency selection

A set of 2D finite element numerical simulation of induction heating process for an oxide Czochralski crystal growth system has been made for a range of f=1–100 kHz applied frequency of driving current. It was shown that the frequency selection has a marked effect in all basic induction phenomena, including electromagnetic field distribution, skin depth, coil efficiency, and intensity and structure of heating in the growth setup.     

Applicability of LES turbulence modeling for CZ silicon crystal growth systems with traveling magnetic field

To examine the applicability of LES turbulence modeling for CZ silicon crystal growth systems with traveling magnetic fields, LES calculations with Smagorinsky–Lilly turbulence model and van Driest damping at the solid walls are carried out. The program package for the calculations was developed on the basis of the open-source code library OpenFOAM^®${\mathrm{OpenFOAM}}^{\circledR }$. A previously published laboratory model with low temperature melt InGaSn, a 20” crucible, and process parameters corresponding to industrial Czochralski silicon systems is considered. Flow regimes with two crystal and crucible rotation rates and with different strengths of the traveling magnetic field “down” are analyzed. The calculated distributions of averaged temperature and standard temperature deviations are compared with measured ones in the laboratory system, and a relatively good agreement between them is shown. The influence of chosen time steps and grid sizes is analyzed by comparing Fourier spectra of temperature time-autocorrelation functions and temperature spatial distributions, and it is shown that the used moderate meshes of few hundred thousand cells can be applied for practical calculations.     

Numerical simulation of a new SiC growth system by the dual-directional sublimation method

A new SiC growth system using the dual-directional sublimation method was investigated in this study. Induction heating and thermal conditions were computed and analyzed by using a global simulation model, and then the values of growth rate and shear stress in a growing crystal were calculated and compared with those in a conventional system. The results showed that the growth rate of SiC single crystals can be increased by twofold by using the dual-directional sublimation method with little increase in electrical power consumption and that thermal stresses can be reduced due to no constraint of the crucible lid and low temperature gradient in crystals.     

Studies on growth,thermal, optical,vibrational properties and hyperpolarizability of a complex orthonitroaniline with picric acid

The present article reports the growth of single crystals of a complex Orthonitroaniline with picric acid (2[C₆H₆N₂O₂]·C₆H₂(NO₂)₃OH) (ONAP) by solution growth (slow evaporation) method at room temperature. Single crystal XRD, UV–vis spectral analysis and TGA/DTA studies were carried out. FT-IR and Raman spectra were recorded to explore information of the functional groups. The high-resolution X-ray diffraction curve reveals the internal structural low angle boundaries. The PL spectrum of the title compound shows green emission. Dielectric behaviour was investigated at 33 and 70 °C. The dipole moment and first-order hyperpolarizability (β) values were evaluated by using Gaussian 98 W software package with the help of B3LYP the density functional theory (DFT) method. The possible modes of vibrations are theoretically predicted by factor group analysis. The mechanical stability of the grown crystal was tested with Vicker’s microhardness tester and the work hardening coefficient of the grown material was estimated.     

Computational analysis of three-dimensional flow and mass transfer in a non-standard configuration for growth of a KDP crystal

Computational analysis of three-dimensional flow and mass transfer in a non-standard configuration for growth of a KDP crystal was conducted. The results show that the surface shear stress is mainly affected by the inlet velocity, and the distribution of the surface supersaturation is determined by the bulk supersaturation and the inlet velocity. By adjusting the inlet velocity, the homogeneity of surface supersaturation can be improved, which is helpful for reducing the occurrence of inclusions and enhancing the crystal quality. The thickness of solute boundary layer is closely related to the flow intensity, but it is almost free from the impact of the bulk supersaturation.     

The influence of the growth temperature and interruption time on the crystal quality of InGaAs/GaAs QW structures grown by MBE and MOCVD methods

The impact of two technological parameters, i.e., the growth temperature and the interface growth interruption, on the crystal quality of strained InGaAs/GaAs quantum well (QW) structures was studied. The investigated heterostructures were grown by molecular beam epitaxy (MBE) and metalorganic chemical vapour deposition (MOCVD) under As-rich conditions. Photoluminescence (PL), reflection high-energy electron diffraction (RHEED) and atomic force microscopy (AFM) were adopted for the evaluation of specified interfaces smoothness and the quality of layers. Comparison between both epitaxial techniques allowed us to find, that the growth temperature plays more significant role in the case of structures grown by MBE technique, whereas the quality of MOCVD grown structures is more sensitive to the growth interruption. Optimum values of the investigated parameters of QW crystallization were obtained for both growth techniques.     

Influence of trivalent ions codoping on the Mo:PbWO4 luminescence properties

Trivalent ions codoping Mo:PWO boules were grown along the c-axis using the Czochralski technique. Trivalent ions codoping improved the fast components of luminescence for Mo:PWO due to suppression/compensation of hole-trapping centers. Correspondingly, trivalent ions codoping increased the fast components of the light yield. The La³⁺ and Gd³⁺ concentration in the crystal gradually decreased along the growth direction because they increased the melting point. The Y³⁺ concentration increased along this direction due to the different influence on the melting point. Compared with La:Mo:PWO, Y:Mo:PWO shows a more uniform transmittance along the growth direction.     

Instability of the melt flow in VGF growth with a traveling magnetic field

The linear instability of a thermally stratified melt flow in the VGF configuration driven by a traveling magnetic field (TMF) is considered numerically and experimentally. The dependency of the instability threshold on the governing parameters is found for several cuts through the parameter space covering a wide range of possible applications. In a first approximation the linear instability occurs when the dimensionless TMF forcing parameter reaches the magnitude of the Grashof number. This is particularly true in a medium-sized crucible where the first instability is axisymmetric and sub-critical. As the Grashof number increases the flow develops self-similar boundary layers and the instability becomes three-dimensional. The instability originates in the bottom boundary layer where the convection tends to suppress the imposed temperature gradient in the central part of the melt zone. It is shown that the TMF may serve as a tool to control the phase interface shape without causing flow instationarity when the crucible diameter exceeds a certain value. This value is estimated to be around 6 cm for GaAs. The flow stays stable if the TMF is used for a reversal of the meridional flow with the aim to remove a possible dopant concentration peak on the axis.     

Effect of thickness and heat treatment on the crystallite size and dislocation density of nanostructured zinc oxide thin films

The zinc oxide thin films were deposited by the sol–gel method on the glass microscope slide substrates. The microstructure of films was determined as a function of film thickness as well as annealing temperature using X-ray line broadening technique and applying whole powder pattern modeling (WPPM). This investigation showed that the film thickness has no significant effect on the grain size, whereas the dislocation density decreases with the film thickness. On the other hand with the rise of annealing temperature the dislocation density decreases, but the crystallite size becomes larger.     

Growth of SiGe bulk crystals with uniform composition by utilizing feedback control system of the crystal–melt interface position for precise control of the growth temperature

We developed an automatic feedback control system of the crystal–melt interface position to keep the temperature at the interface constant during growth, and demonstrate its successful application to grow Ge-rich SiGe bulk crystals with uniform composition. In this system, the position of the crystal–melt interface was automatically detected by analyzing the images captured using in situ monitoring system based on charge-coupled-devices camera, and the pulling rate of the crucible was corrected at every 1 min. The system was found to be effective to keep the crystal–melt interface position during growth even when the variation of the growth rate is quite large. Especially, the interface position was kept for 470 h during growth of Ge-rich SiGe bulk crystal when we started with a long growth melt of 80 mm. As a result, a 23 mm-long Si_0.22Ge_0.78 bulk crystal with uniform composition was obtained thanks to the constancy of the growth temperature during growth through the control of the interface position. Our technique opens a possibility to put multicomponent bulk crystal in a practical use.     

Decisive role of Au layer on the oriented growth of ZnO nanorod arrays via a simple aqueous solution method

Vertically aligned arrays of ZnO nanorod were synthesized on the Au/SiO₂/Si(1 0 0) substrate by a simple aqueous solution growth process, without pre-prepared ZnO seed layer. For comparison, glass and SiO₂/Si were also used as substrates, and the results show that the Au layer plays a decisive role in orienting the growth of the ZnO nanorod. The effects of other growth parameters, including Zn²⁺ concentration and growth time, on morphology, density, and orientation of the ZnO nanostructure were also studied and with longer reaction time, a new structure namely ZnO nanotip was obtained. Moreover, the growth mechanism of ZnO nanorod arrays grown on the Au/SiO₂/Si substrate was proposed.     

Synthesis and characterization of a micro scale zinc oxide–PVA composite by ultrasound irradiation and the effect of composite on the crystal growth of zinc oxide

Micro scale zinc oxide-polyvinyl alcohol (ZnO–PVA) composite has been synthesized by ultrasound irradiation. The properties of the as-prepared ZnO–PVA composite material are characterized by X-ray diffraction (XRD), thermo gravimetric analysis (TGA), transmission electron microscopy (TEM), and diffuse reflection spectroscopy (DRS). A band gap of 3.25 eV is estimated from DRS measurements. The controlled crystal growth of zinc oxide has been studied by using the as-prepared micro scale ZnO–PVA composite as seeds for the crystal growth of ZnO.     

Some aspects on thermodynamic properties, phase diagram and alloy formation in the ternary system BAs–GaAs—Part I: Analysis of BAs thermodynamic properties

Owing to the lack of available thermodynamic data based on experimental measurements of heat capacity, decomposition reaction or vapour pressure measurements, the problem of BAs stability is considered. We propose a new set of thermodynamic data for enthalpy of formation, entropy and Gibbs free energy of Bas compound. By using thermodynamic database, our approach is based on the semi-empirical trends and analogy in the variation of those quantities for several binary series in different III–V systems like arsenides, nitrides and phosphides. Thus, the values for BAs were derived by extrapolation from Al to boron-based compounds (BAs, BP and, BN). For pure BAs(s), we predict a low enthalpy of formation in the standard state of at 300 K and a Gibbs free energy of indicating a lower stability of this compound than GaAs. Those values are contradictory discussed with trends in the cohesive energy of several III–V systems. A cohesive energy of 900 kJ/mol (9.4 eV) is proposed in agreement with Philips's rule.     

Thermal stationarity criteria for a proper study on growth (dissolution) kinetics in systems with small volumes of solutions in melts

It is shown that an application of theories developed on the assumption of the stationary thermal conditions for discussing the results on kinetic experiments with small volumes of solutions in melts is incorrect if the strong measures on eliminating temperature oscillations in these experiments are not taken. The results on an analysis of the influence of various temperature changes on the velocity of migration of liquid interlayers through a crystalline wafer are presented and discussed. Criteria for thermally stationary conditions in kinetic experiments are deduced.     

The role of Sb in the molecular beam epitaxy growth of 1.30–1.55 μm wavelength GaInNAs/GaAs quantum well with high indium content

Sb-assisted GaInNAs/GaAs quantum wells (QWs) with high (42.5%) indium content were investigated systematically. Transmission electron microscopy, reflection high-energy electron diffraction and photoluminescence (PL) measurements reveal that Sb acts as a surfactant to suppress three-dimensional growth. The improvement in the 1.55 μm range is much more apparent than that in the 1.3 μm range, which can be attributed to the difference in N composition. The PL intensity and the full-width at half maximum of the 1.55 μm single-QW were comparable with that of the 1.3 μm QWs.