3D Finite Volume Scheme for Czochralski Single Crystal Growth

Czochralski (Cz) technique, which is used for growing single crystals, has dominated the production of single crystals for electronic applications. The Cz growth process involves multiple phases, moving interface and three-dimensional behavior. Much has been done to study these phenomena by means of numerical methods as well as experimental observations. A three-dimensional curvilinear finite volume based algorithm has been developed to model the Cz process. A body-fitted transformation based approach is adopted in conjunction with a multizone adaptive grid generation (MAGG) technique to accurately handle the three-dimensional problems of phase-change in irregular geometries with free and moving surfaces. The multizone adaptive model is used to perform a three-dimensional simulation of the Cz growth of silicon single crystals.Since the phase change interface are irregular in shape and they move in response to the solution, accurate treatment of these interfaces is important from numerical accuracy point of view. The multizone adaptive grid generation (MAGG) is the appropriate scheme for this purpose. Another challenge encountered is the moving and periodic boundary conditions, which is essential to the numerical solution of the governing equations. Special treatments are implemented to impose the periodic boundary condition in a particular direction and to determine the internal boundary position and shape varying with the combination of ambient physicochemical transport process and interfacial dynamics. As indicated above that the applications and processes characterized by multi-phase, moving interfaces and irregular shape render the associated physical phenomena three-dimensional and unsteady. Therefore a generalized 3D model rather than a 2D simulation, in which the governing equations are solved in a general non-orthogonal coordinate system, is constructed to describe and capture the features of the growth process. All this has been implemented and validated by using it to model the low pressure Cz growth of silicon. Accuracy of this scheme is demonstrated by agreement of simulation data with available experimental data. Using the quasi-steady state approximation, it is shown that the flow and temperature fields in the melt under certain operating conditions become asymmetric and unsteady even in the absence of extrinsic sources of asymmetry. Asymmetry in the flow and temperature fields, caused by high shear initiated phenomena, affects the interface shape in the azimuthal direction thus results in the thermal stress distribution in the vicinity, which has serious implications from crystal quality point of view.

Growth and its spectroscopic properties of Sm : YAP crystal

Sm3+-doped yttrium aluminum perovskite (YAP) single crystal was grown by Czochralski (CZ) method. The absorption and fluorescence spectra along the crystallographic axis b were measured at room temperature. Judd-Ofelt theory was used to calculate the intensity parameters (Omega(t)), the spontaneous emission probability, the branching ratio and the radiative lifetime of the state (4)G(5/2). The peak emission cross-sections were also estimated at 567, 607, and 648 nm wavelengths. (c) 2006 Elsevier B.V. All rights reserved.

Growth and spectral properties of Gd2SiO5 crystal codoped with Er and Yb

Gd2SiO5 (GSO) single crystal codoped with Yb3+ and Er3+ (Abbr. as Er:Yb:GSO) was successfully grown by the Czochralski (CZ) method for the first time and the spectral characteristics were investigated. The absorption and fluorescence spectra were measured. The emission lifetime of the I-4(13/2)-Er-level was measured to be 5.84ms and the emission cross-section at 1529nm was calculated to be 1.03 x 10(-20) cm(2). The results indicate that Er:Yb:GSO is a potential laser material at similar to 1. 55 mu m wavelength region. (c) 2006 Elsevier B.V. All rights reserved.

Crystal growth and spectral properties of Sm:GdVO4

The 2 at.% Sm:GdVO4 crystal was grown by the Czochralski method. The segregation coefficient of Sm3+ ion in this crystal is 0.98. The crystal structure of the Sm:GdVO4 crystal was determined by X-ray diffraction analysis. Judd-Ofelt theory was used to calculate the intensity parameters (Omega(i)), the spontaneous emission probability, the luminary branching ratio and the radiative lifetime of the state (4)G(5/2). The stimulated emission cross-sections at 567, 604 and 646 nm are calculated to be 5.92 x 10(-21), 7.62 x 10(-21) and 5.88 x 10(-21) cm(2), respectively. The emission cross-section at 604 nm is 4.4 times lager than that in Sm: YAP at 607 nm. (C) 2007 Elsevier B.V. All rights reserved.

Cz法大型砷化镓单晶生长中熔体流动和传热

采用低雷诺数k-ε模型，计算分析了Cz法大型砷化镓单晶生长中熔体 内的热量、动量输支特性。结果表明：适当的坩埚旋转能有效抑制晶体旋转产生的对流和浮力对流，增长晶体转速能使晶体/熔体界面附近等温线更加平直，适当的坩埚、晶体转速匹配能够抑止晶体/熔体界面附近的温度波动，热毛细力对强烈熔体流动的影响可以忽略不计，但对较弱的熔体流动影响较大。文中还给出了较为适宜的坩埚、晶体转速匹配方式。研究结果为生长高质量大型砷化镓单晶提供了有重要价值的数值依据。

Effects of Thermocapillary Convection on the Growth Process in Industrial 8-inch Silicon Czochralski Growth

Czochralski (CZ) crystal growth process is a widely used technique in manufacturing of silicon crystals and other semiconductor materials. The ultimate goal of the IC industry is to have the highest quality substrates, which are free of point defect, impurities and micro defect clusters. The scale up of silicon wafer size from 200 mm to 300 mm requires large crucible size and more heat power. Transport phenomena in crystal growth processes are quite complex due to melt and gas flows that may be oscillatory and/or turbulent, coupled convection and radiation, impurities and dopant distributions, unsteady kinetics of the growth process, melt crystal interface dynamics, free surface and meniscus, stoichiometry in the case of compound materials. A global model has been developed to simulate the temperature distribution and melt flow in an 8-inch system. The present program features the fluid convection, magnetohydrodynamics, and radiation models. A multi-zone method is used to divide the Cz system into different zones, e.g., the melt, the crystal and the hot zone. For calculation of temperature distribution, the whole system inside the stainless chamber is considered. For the convective flow, only the melt is considered. The widely used zonal method divides the surface of the radiation enclosure into a number of zones, which has a uniform distribution of temperature, radiative properties and composition. The integro-differential equations for the radiative heat transfer are solved using the matrix inversion technique. The zonal method for radiative heat transfer is used in the growth chamber, which is confined by crystal surface, melt surface, heat shield, and pull chamber. Free surface and crystal/melt interface are tracked using adaptive grid generation. The competition between the thermocapillary convection induced by non-uniform temperature distributions on the free surface and the forced convection by the rotation of the crystal determines the interface shape, dopant distribution, and striation pattern. The temperature gradients on the free surface are influenced by the effects of the thermocapillary force on the free surface and the rotation of the crystal and the crucible.

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.

Growth and spectroscopic characteristics of Yb : GSO single crystal

For the first time, a high optical quality 10 at.% Yb3+-doped gadolinium oxyorthosilicate laser crystal Gd2SiO5 (GSO) was grown by the Czochralski (Cz) method. The segregation coefficient of Yb3+ was studied by the inductively coupled plasma atomic emission spectrometer (ICP-AES) method. The crystal structure has monoclinic symmetry with space group P2(1)/c; this was determined by means of an x-ray diffraction analysis. The absorption spectra, fluorescence spectra and fluorescence decay curves of Yb3+ ions in a GSO crystal at room temperature were also studied. Then, the spectroscopic parameters of Yb:GSO were calculated. The advantages of the Yb:GSO crystal include high crystal quality, quasi-four-level laser operating scheme, high absorption cross-sections and particularly broad emission bandwidth (similar to 72 nm). The results indicated that the Yb:GSO crystal seemed to be a very promising laser gain medium in diode-pumped femtosecond laser and tunable solid state laser applications when LD pumped at 940 and 980 nm.

A comparison between TGT and Cz grown Nd : YAG

Large sized neodymium-doped Y3Al5O12 (Nd:YAG) laser crystals have been grown by temperature gradient technique (TGT) method and compared with Czochralski (Cz) method. The comparison of these two crystal growth methods has been listed. The results showed that the TGT method has many advantages over the Cz method. The concentration distribution of Nd ions in the crystals was determined and the absorption spectra of these crystals have been investigated and compared. The TGT grown highly doped Nd:YAG crystal has a larger absorption FWHM than that of Cz grown Nd:YAG crysral. Highly doped Nd:YAG (similar to 2.8 at. pct) crystals could be obtained by TGT.

Growth and spectroscopic characteristics of Yb : LPS single crystal

For the first time, a high optical quality Yb3+-doped lutetium pyrosilicate laser crystal Lu2Si2O7 (LPS) was grown by the Czochralski (Cz) method. The segregation coefficient of ytterbium ion in Yb:LPS crystal detected by the inductively coupled plasma atomic emission spectrometer (TCP-AES) method is equal to 0.847. X-ray powder diffraction result confirms the C2/m phase monoclinic space group of the grown crystal and the peaks corresponding to different phases were indexed. The absorption and fluorescence spectra, as well as fluorescence decay lifetime of Yb3+ ion in LPS have been investigated. The absorption and fluorescence cross-sections of the transitions F-2(7/2) <-> F-2(5/2) of Yb3+ ion in LPS crystal have been determined. The advantages of the Yb:LPS crystal including high crystal quality, quasi-four-level laser operating scheme, high absorption cross-sections (1.33 x 10(-2) cm(2)) and particularly broad emission bandwidth (similar to 62 nm) indicated that the Yb:LPS crystal seemed to be a promising candidate used as compact, efficient thin chip lasers when LD is pumped at 940 and 980 nm due to its low-symmetry monoclinic structure and single crystallographic site. (c) 2007 Elsevier B.V. All rights reserved.

Growth and spectral properties of Yb,Tm:YAG crystal

The YAG crystal codoped with Yb3+ and Tm3+ has been grown by Czochralski (Cz) method. The crystal structure of the crystal has been determined by X-ray diffraction analysis. The absorption and emission spectra of Yb,Tm:YAG crystal at room temperature have also been studied. The emission cross-sections have been calculated by Fuechtbauer-Ladenburg formula and reciprocity method. (C) 2007 Elsevier B.V. All rights reserved.

About the origin of low wafer performance and crystal defect generation on seed-cast growth of industrial mono-like silicon ingots

The era of the seed-cast grown monocrystalline-based silicon ingots is coming. Mono-like, pseudomono or quasimono wafers are product labels that can be nowadays found in the market, as a critical innovation for the photovoltaic industry. They integrate some of the most favorable features of the conventional silicon substrates for solar cells, so far, such as the high solar cell efficiency offered by the monocrystalline Czochralski-Si (Cz-Si) wafers and the lower cost, high productivity and full square-shape that characterize the well-known multicrystalline casting growth method. Nevertheless, this innovative crystal growth approach still faces a number of mass scale problems that need to be resolved, in order to gain a deep, 100% reliable and worldwide market: (i) extended defects formation during the growth process; (ii) optimization of the seed recycling; and (iii) parts of the ingots giving low solar cells performance, which directly affect the production costs and yield of this approach. Therefore, this paper presents a series of casting crystal growth experiments and characterization studies from ingots, wafers and cells manufactured in an industrial approach, showing the main sources of crystal defect formation, impurity enrichment and potential consequences at solar cell level. The previously mentioned technological drawbacks are directly addressed, proposing industrial actions to pave the way of this new wafer technology to high efficiency solar cells.