Investigation of convection in the solution zone at the growth of CdTe by THM

An investigation of the axial temperature distribution in the solution zone at THM growth of CdTe is presented. The results support the assumption, that density differences coused by concentration differences there are a substantial contribution to convection in the zone. The concentration Rayleigh-number and the needed concentration expansion coefficient of the real experimental condition are estimated.     

ACRT forced convection and its effects on solute segregation and heat and mass transfer during single crystal growth

A numerical simulation study was carried out for CdZnTe vertical Bridgman method crystal growth with the accelerated crucible rotation technique (ACRT). The convection, heat and mass transfer in front of the solid‐liquid interface, and their effects on the solute segregation of the grown crystal can be characterized with the following. ACRT brings about a periodic forced convection in the melt, of which the intensity and the incidence are far above the ones of the natural convection without ACRT. This forced convection is of multiformity due to the changes of the ACRT parameters. It can result in the increases of both the solid‐liquid interface concavity and the temperature gradient of the melt in front of the solid‐liquid interface, of which magnitudes vary from a little to many times as the ACRT wave parameters change. It also enhances the mass transfer in the melt in a great deal, almost results in the complete uniformity of the solute distribution in the melt. With suitable wave parameters, ACRT forced convection decreases the radial solute segregation of the crystal in a great deal, even makes it disappear completely. However, it increases both the axial solute segregation and the radial one notably with bad wave parameters. An excellent single crystal could be gotten, of which the most part is with no segregation, by adjusting both the ACRT wave parameters and the crystal growth control parameters, e.g. the initial temperature of the melt, the temperature gradient, and the crucible withdrawal rate. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Experimental and numerical investigation of buoyancy driven convection during PDAMNA thin film growth

This paper presents results from numerical simulations as well as laboratory experiments of buoyancy driven convection in an ampoule under varying heating and gravitational acceleration loadings. The modeling effort in this work resolves the large scale natural convective motion that occurs in the fluid during photodeposition of polydiacetelene films which is due to energy absorbed by the growth solution from a UV source. Consequently, the growth kinetics of the film are ignored in the model discussed here, and also a much simplified ampoule geometry is considered. The objective of this work is to validate the numerical prediction on the strength and structure of buoyancy driven convection that could occur under terrestrial conditions during nonlinear optical film growth. The validation is used to enable a reliable predictive capability on the nature and strength of the convective motion under low gravity conditions. The ampoule geometry is in the form of a parallelepiped with rectangular faces. The numerical results obtained from the solution to the Boussinesq equations show that natural convection will occur regardless of the orientation of the UV source with respect to the gravity vector. The least strong convective motion occurred with the UV beam directed at the top face of the parallelepiped. The strength of the convective motion was found to be almost linearly proportional to the total power of the UV source. Also, it was found that the strength of the convective motion decreased linearly with the gravity due to acceleration. The pattern of the convection flow on the other hand, depended on the source location.     

Solutal convection during growth of organic NLO crystals

Effect of solutal and thermal convection plays very important role when a large thermal gradient is applied during crystal growth. To address this problem, we have purified m.nitroaniline (m.NA) and m. dinitrobenzene (m.DNB) and studied crystal growth and effect of growth parameters on the optical quality. Crystals of pure and binary alloy of m.dinitrobenzene and m.nitroaniline were grown by vertical directional solidification method in a two zone transparent furnace. Effect of doping and temperature gradient on the solid-liquid interface morphology and quality of crystal was determined by studying the bulk transparency and nonlinearity.     

Vapor growth of CdTe laser window materials

Vapor deposition of CdTe from elemental cadmium and tellurium sources was studied as a function of the Cd/Te ratio, the supersaturation and the substrate temperature, in order to achieve optimum growth conditions for CdTe windows with low optical absorptivity in the infrared. A multisubstrate arrangement was designed to enable acquisition of growth data simultaneously on up to six specimens, each exposed to different growth conditions. Polycrystalline blanks up to 15 cm² × 2 mm thick were grown at rates of 0.02-1.5 mm/h with the growth rate exhibiting sensitivity to all of the above variables. Our results show that stoichiometry (as well as free carrier concentrations) can be controlled by adjustments in the Cd/Te ratio and/or the substrate temperature. Similarly, microstructural aspects (e.g., grain and void size) are shown to exhibit strong sensitivity to variations in growth conditions.     

Influence of Coriolis force on thermal convection and impurity segregation during crystal growth under microgravity

In contrast with the generally accepted viewpoint, it is shown that the Coriolis force caused by rotation of an orbital station can appreciably affect natural convection and impurity distribution during the growth of crystals from a melt in orbital flight conditions. 2D and 3D steady and oscillatory convection in a rectangular enclosure is considered. The resonance phenomenon arising due to the interaction of the Coriolis force and harmonic oscillations of the gravity force is demonstrated. It is shown that for moderate values of the Ekman number the Coriolis force suppresses convection in one direction and amplifies it in the other, which in turn results in deformation of the impurity distribution over the cross-section of the crystal.     

Growth and interface study of 2 in diameter CdZnTe by THM technique

Growth interface of large diameter CdZnTe ingots grown from Te solution by travelling heater method have been studied. Both macroscopic and microscopic investigations were carried out. The results indicated that the shape of the interface strongly governs the grain growth on the ingot, while the microscopic morphology of the growth interface is responsible for Te inclusions in the grown crystal.     

Three dimensional numerical study of the effect of large Grashof number on HEM crystal growth

Heat transfer and fluid flow in HEM crystal growth of silicon in cylindrical cavity is studied numerically. The walls of the crucible are heated to a fixed temperature. The exchanger that causes and induces natural convection is seated at the middle‐bottom of the crucible. The finite‐volume method is employed to solve the governing equations with proper boundary conditions. The effects of transport mechanism on the temperature distribution, melt flow, pressure and stream function are presented. We focus our work on the pressure field which has not yet been studied in HEM crucible. Also, we extend our work on a wide range Grashof number and for large numbers until 10¹² not yet studied in HEM furnace. It is found that the onset of flow fluctuations appears at Gr = 10¹⁰. Uniform temperature is observed in the entire melt at high Grashof number with development of a thermal boundary layer close to the exchanger. The thermal boundary layer thickness is calculated for strong buoyancy regime. Besides, for very high Gr number, buoyancy has less effect on temperature and then on melt‐crystal interface shape. During enlarging Gr, pressure evolution is related to temperature variation more than flow pattern.     

Synthesis and epitaxial growth of CdTe films by neutral and ionized beams

The growth of CdTe thin films has been studied by epitaxial processes on the cleavage surface of rock salt in vacuum, using electron microscopic and electron diffraction techniques. The crystallinity and structure of the films depend largely upon the intensities and species of the incident beams. The use of two beams effused separately from the Knudsen cells resulted in the growth of films of good crystallinity when the intensity ratio N_Cd : N_Te was 10 : 1. The epitaxial relationships were studied over the range of substrate temperatures between room temperature and 350°C. The co-existence of α-hexagonal and β-cubic modifications of CdTe and their proportions in the film were revealed as a function of the growth processes and substrate temperature. If two beams were ionized by electron bombardment inside the cells and were incident upon the substrate by applying a dc voltage between source and substrate, the epitaxial temperature can be lowered to near room temperature, giving good epitaxy. The epitaxial relationships in the CdTe/NaCl system have been studied.     

Dewetted growth of CdTe in microgravity (STS‐95)

Two CdTe crystals had been grown in microgravity during the STS‐95 mission. The growth configuration was dedicated to obtain dewetting of the crystals and to achieve high quality material. Background for the performed experiments was based on the theory of the dewetting and previous experience. The after flight characterization of the crystals has demonstrated existance of the dewetting areas of the crystals and their improved quality regarding the earth grown reference sample. The samples had been characterized by EDAX, Synchrotron X‐ray topography, Photoluminescence and Optical and IR microscopy. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Clathrate-hydrate film growth along water/hydrate-former phase boundaries—numerical heat-transfer study

This paper describes two analytic models for the heat-transfer-controlled lateral growth of a clathrate-hydrate film along a planar interface between liquid water and an immiscible hydrate-forming fluid (or guest fluid), such as methane or carbon dioxide. The two models are different from each other only regarding the assumption of the film-front geometry. Either model assumes the film to be uniform and constant in thickness, ignoring possible changes in the thickness on a time scale relevant to its lateral growth. Another fundamental assumption employed in the model is that the film's hydrate-forming front is maintained at the hydrate/guest/water three-phase equilibrium temperature, thereby forming a two-dimensional temperature distribution in the surrounding three-phase space. Based on these assumptions, the transient, two-dimensional conductive heat transfer from the film front into the three phases is formulated and numerically solved to give the instantaneous rate of lateral film growth (i.e., the linear speed of the film-front) along the water/guest-fluid interface, while the film thickness is arbitrarily assumed as a fitting parameter. By comparing the predicted rates of film growth with the corresponding experimental data obtained with methane or carbon dioxide as the guest fluid, we estimated the film thickness to be about 10–20 μm for the methane hydrate at a pressure of 9.06 MPa and about 0.5 μm for the carbon-dioxide hydrate at a pressure of 5 MPa.     

Large eddy simulation of Marangoni convection in Czochralski crystal growth

Large eddy simulation model is used to simulate the fluid flow and heat transfer in an industrial Czochralski crystal growth system. The influence of Marangoni convection on the growth process is discussed. The simulation results agree well with experiment, which indicates that large eddy simulation is capable of capturing the temperature fluctuations in the melt. As the Marangoni number increases, the radial velocity along the free surface is strengthened, which makes the flow pattern shift from circumferential to spiral. At the same time, the surface tension reinforces the natural convection and forces the isotherms to curve downwards. It can also be seen from the simulation that a secondary vortex and the Ekman layer are generated. All these physical phenomena induced by Marangoni convection have great impacts on the shape of the growth interface and thus the quality of the crystal. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Crystal growth of PbTe and (Pb,Sn)Te by the bridgman method and by THM

Synthesis and growth of PbTe and (Pb, Sn)Te single crystals by the Bridgman method and by the Travelling Heater Method (THM) from Te-rich solutions are described. It is to be seen from comparative investigations that seeded THM growth reproducibly provides oriented single-crystalline ingots free of low-angle grain boundaries and with etch pit densities of 8–12 × 10⁴ cm⁻². All the materials were p-type with carrier concentrations from 1 to 2 × 10¹⁸ cm⁻³.     

Long-term Crystal Growth under Microgravity during the EURECA-1 Mission (II) THM Growth of Sulphur-doped InP

Long-term crystal growth experiments were successfully performed under microgravity conditions during the first flight of the unmanned EURECA-1 mission in the automatic mirror furnace (AMF). Two crystals of sulphur-doped InP with [001] and [111] orientation respectively were grown from indium solution by the travelling heater method (THM). The absence of time dependent buoyancy-driven convection is documented by the lack of type I striations in the space-grown crystals. The sulphur concentration is measured by spatially resolved photoluminescence. As expected, the macrosegregation can be described by a pure diffusion-controlled model which is in good agreement with the findings from the first German spacelab mission D1. Compared to the earth-grown reference samples, both of the space-grown InP crystals show strong disturbances such as inclusions and type II striations. The morphological instabilities are similar to growth disturbances already known from the space-grown MD-ELI-01 from the D1 mission.     

Numerical optimization of thermal field in CdTe crystal growth by travelling heater method

Cadmium telluride (CdTe) and his compounds play a leading role in X‐ray and γ‐ray detector technology. One of the most used methods for growing these crystals is the travelling heater method (THM). The ingots obtained by using this technique show excellent composition uniformity, but the structural quality is affected by the presence of large grains which appear because of large curvatures of the solid‐liquid interface during the solidification process. This numerical work investigate the thermal field and melt convection in CdTe processing by THM in order to elucidate the mechanism of growing these crystals. The influence of the furnace geometry on the interface shape and temperature gradient in liquid is analyzed for samples with small (1 cm) and large (5 cm) diameters. The computations include flow effects on thermal field in the melted zone. The thermal conditions are optimized for THM growth of CdTe crystals at high solidification temperatures. A new multi‐zone furnace configuration for growing crystals of large diameter and flattened interface is proposed in this work.     

Heat transfer and convection in Czochralski growth of large BGO Crystals

In the present work, numerical modeling has been performed to analyze heat transfer and melt convection during bismuth germanate Bi₄Ge₃O₁₂ (BGO) crystal growth by the Czochralski growth method. In addition to global heat-transfer modeling, the suggested model accounts for the radiative heat exchange in the crystal and melt convection together with the crystallization front formation. The model helped to analyze the modification of the growth setup made by including additional heater. The numerical predictions obtained with CGSim software agree well with available experimental data.     

X-ray characterization of CdTe crystals with natural faces

The exact characterization of natural crystal faces is very important from the point of view of the proper conditions of crystal growth and of the choice of an appropriate substrate for obtaining epitaxial layers. In this work various X-ray diffraction methods were used to obtain the maximum information about the CdTe crystal surface structure. Applied X-ray techniques allowed to detect the number of defects even on the natural mirror-like faces of the crystal which can be treated as a seemingly perfect one.     

Evidence of VLS growth in CdTe film preparation by NH4Cl closed-tube CVD

By thermodynamical calculations of the vapour phase composition expected to occur in the closed — tube CVD of CdTe films on CdTe substrates, it is shown that a VLS growth mechanism should be active in the growth process when use is made of the thermal decomposition of NH₄Cl for producing the proper amount of HCl as a transport agent. Responsible of this VLS mechanism is the liquid tellurium, which is always present when the NH₄Cl concentration reaches values sufficiently high for the epitaxial deposition of CdTe films.