Journal of Crystal Growth最新文献

英文中文

Corrigendum to “Enabling MOCVD production on next generation 150 mm Indium Phosphide wafer size” [J. Cryst. Growth 643 (2024) 127793] 下一代 150 毫米磷化铟晶片上的 MOCVD 生产"[J. Cryst. Growth 643 (2024) 127793] 更正

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2024-09-24 DOI: 10.1016/j.jcrysgro.2024.127899

I. Miccoli, G. Simkus, H. Larhrib, T. Korst, M. Mukinovic, J. Holzwarth, M. Heuken

引用次数: 0

Microstructural characterization of InP films on SOI (001) substrates grown by selective lateral metal-Organic vapor-Phase epitaxy 通过选择性横向金属有机气相外延技术在 SOI (001) 衬底上生长的 InP 薄膜的微观结构特征

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2024-09-24 DOI: 10.1016/j.jcrysgro.2024.127903

Hiroya Homma, Hiroki Sugiyama, Tatsurou Hiraki, Tomonari Sato, Shinji Matsuo

To achieve monolithic integration of Si-waveguide-coupled III-V laser diodes, it is important to establish a method of growing high-quality III-V materials on large Si wafers without a thick buffer layer. Here, the lateral aspect ratio trapping (LART) method has recently been attracting attention because of its potential for integrating large-area and high-quality III-V films on (001)-oriented silicon-on-insulator (SOI) substrates. In this paper, we report a detailed microstructural analysis of InP films that were fabricated on (001) SOI substrates by using metal–organic vapor-phase epitaxy and the LART method. The obtained films had an area of around 50 x 4 μm2, which is large enough for them to be used as templates in photonics device fabrication. Transmission electron microscopy revealed that propagation of threading dislocations in the Si/InP interface region was suppressed. However, the films tended to contain other planar defects, such as stacking faults, rotational twin boundaries, and anti- phase boundaries. We discuss the mechanisms underlying the generation of these defects and approaches to suppressing their formation.

要实现 Si- 波导耦合 III-V 激光二极管的单片集成，必须建立一种无需厚缓冲层即可在大型硅晶片上生长高质量 III-V 材料的方法。最近，横向纵横比捕获（LART）方法因其在面向（001）绝缘体上硅（SOI）衬底上集成大面积和高质量 III-V 薄膜的潜力而备受关注。本文报告了利用金属有机物气相外延和 LART 方法在 (001) SOI 基底上制备 InP 薄膜的详细微观结构分析。获得的薄膜面积约为 50 x 4 μm2，足够大，可用作光子器件制造的模板。透射电子显微镜显示，Si/InP 界面区域的穿线位错传播受到抑制。然而，薄膜往往含有其他平面缺陷，如堆叠断层、旋转孪晶边界和反相边界。我们讨论了这些缺陷的产生机制以及抑制其形成的方法。

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引用次数: 0

Growth, optical and thermal properties of YbxSm1-xCa4O(BO3)3 crystals YbxSm1-xCa4O(BO3)3 晶体的生长、光学和热学特性

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2024-09-23 DOI: 10.1016/j.jcrysgro.2024.127902

Chen Yang, Linwen Jiang, Yanqing Zheng, Tuanjie Liang, Zhongjun Tian, Zhigang Sun

Yb_xSm_1-xCOB (x = 0.1, 0.2) crystals were grown by the Bridgman method for the first time. The purpose of this paper is to evaluate the application prospect of Yb:SmCOB crystal in quasi-parametric chirped pulse amplification (QPCPA) and frequency-doubling laser. The phase structure, thermal properties and optical properties of Yb:SmCOB were studied, and the density of states of SmCOB crystal was calculated by first-principles. The effective segregation coefficient K_eff of Yb_0.1Sm_0.9COB and Yb_0.2Sm_0.8COB crystals are 0.89 and 0.88, respectively. The thermal diffusivity and thermal conductivity of Yb:SmCOB decrease with increasing temperature. The specific heat increases with the increase of temperature and eventually tends to be constant. The specific heat of Yb:SmCOB crystal is greater than 0.70 J/(g·K) at room temperature. The transmittance of Yb:SmCOB crystal reaches 87 % in the range of 500 ∼ 900 nm. With the increase of Yb³⁺ doping concentration, the UV absorption cut-off edge is red shifted. The frequency doubling emission peak of Yb:SmCOB crystal at 490 nm was measured by 980 nm laser. Yb:SmCOB has the characteristics of high transmittance and high specific heat, and has application potential in laser frequency doubling and QPCPA.

首次采用布里奇曼法生长出了 YbxSm1-xCOB (x = 0.1, 0.2) 晶体。本文旨在评估 Yb:SmCOB 晶体在准参数啁啾脉冲放大（QPCPA）和倍频激光器中的应用前景。研究了 Yb:SmCOB 的相结构、热学性质和光学性质，并用第一性原理计算了 SmCOB 晶体的态密度。Yb0.1Sm0.9COB和Yb0.2Sm0.8COB晶体的有效偏析系数Keff分别为0.89和0.88。Yb:SmCOB 的热扩散率和热导率随温度升高而降低。比热随温度升高而增加，最终趋于恒定。室温下，Yb:SmCOB 晶体的比热大于 0.70 J/(g-K)。在 500 ∼ 900 nm 范围内，Yb:SmCOB 晶体的透射率达到 87%。随着 Yb3+ 掺杂浓度的增加，紫外吸收截止边发生了红移。用 980 nm 激光测量了 Yb:SmCOB 晶体在 490 nm 处的倍频发射峰。Yb:SmCOB 具有高透过率和高比热的特点，在激光倍频和 QPCPA 方面具有应用潜力。

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引用次数: 0

A four-way coupled numerical investigation of draft tube baffled crystallizer 牵伸管折流式结晶器的四向耦合数值研究

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2024-09-22 DOI: 10.1016/j.jcrysgro.2024.127887

Jamal Darand, Alireza Fashami, Ali Jafarian

In the present paper, the liquid–solid two-phase turbulent flow in a Draft Tube Baffled crystallizer has been simulated using Computational Fluid Dynamics. In this respect, multiphase Eulerian model along with population balance equations were applied. To implement four-way coupling, aggregation and breakage were considered. The RNG k-ε and RSM turbulence models were employed to conduct numerical simulation of two phase turbulent flow. Results demonstrated that applying RNG k-ε and RSM turbulence models, a significant difference in axial velocity profiles along the x-axis is observed, while those along the z-axis exhibit less difference. Moreover, a significant difference in volume fraction between the two models was observed which mostly concerns the region within the draft tube and the distance between the baffle and crystallizer wall. Furthermore, changing the propeller speed from 165 to 495 rpm, the speed of 330 rpm showed to be optimal in terms of particles residence time. The results also showed that a rise in impeller speed is one of the major contributors to mass exchange enhancement between the liquid and the solid phases. Accordingly, as the impeller speed rises, the rate of mass exchange increases from 9.92 kg/h for 165 rpm to 29.07 kg/h for 495 rpm.

本文利用计算流体动力学模拟了牵伸管折流式结晶器中的液固两相湍流。在这方面，应用了多相欧拉模型和种群平衡方程。为实现四向耦合，考虑了聚集和破碎。采用 RNG k-ε 和 RSM 湍流模型对两相湍流进行了数值模拟。结果表明，应用 RNG k-ε 和 RSM 湍流模型，沿 x 轴的轴向速度剖面有显著差异，而沿 z 轴的轴向速度剖面差异较小。此外，还观察到两种模型的体积分数存在明显差异，主要涉及引流管内的区域以及挡板和结晶器壁之间的距离。此外，将螺旋桨转速从每分钟 165 转调至 495 转，结果表明，就颗粒停留时间而言，每分钟 330 转的转速最佳。结果还表明，叶轮转速的提高是液相和固相之间质量交换增强的主要原因之一。因此，随着叶轮转速的提高，质量交换率从 165 rpm 时的 9.92 kg/h 提高到 495 rpm 时的 29.07 kg/h。

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引用次数: 0

Oxygen precipitation behavior and its influence on phosphorus gettering in Czochralski silicon 氧析出行为及其对 Czochralski 硅中磷烧结的影响

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2024-09-21 DOI: 10.1016/j.jcrysgro.2024.127898

Zhiyong Cun , Qinglin Jin , Shaoyuan Li

This study investigates the effects of single-step and two-step annealing processes on the formation of oxygen precipitates and their impact on metal impurity gettering in gallium-doped monocrystalline silicon. The research focuses on the competitive relationship between internal gettering by oxygen precipitates and external gettering through phosphorus diffusion. Experimental results show that two-step annealing generates larger and more abundant oxygen precipitates, enhancing the internal gettering effect and reducing the recovery of minority carrier lifetime after phosphorus gettering. Despite this, phosphorus diffusion gettering remains effective in improving minority carrier lifetime, although the degree of improvement depends on the size and quantity of oxygen precipitates. These findings offer valuable insights for optimizing the fabrication process of silicon-based solar cells.

本研究探讨了单步退火和两步退火工艺对掺镓单晶硅中氧沉淀物形成的影响及其对金属杂质蜕变的影响。研究重点是氧析出物的内部退火与磷扩散的外部退火之间的竞争关系。实验结果表明，两步退火会产生更大、更多的氧析出物，从而增强内部除杂效果，减少磷除杂后少数载流子寿命的恢复。尽管如此，磷扩散退火仍能有效改善少数载流子寿命，不过改善程度取决于氧沉淀的大小和数量。这些发现为优化硅基太阳能电池的制造工艺提供了宝贵的启示。

引用次数: 0

Unraveling conditions for W-shaped interface and undercooled melts in Cz-Si growth: A smart approach 揭示晶体硅生长过程中 W 型界面和过冷熔体的条件：智能方法

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2024-09-19 DOI: 10.1016/j.jcrysgro.2024.127897

Natasha Dropka , Milena Petkovic , Klaus Böttcher , Martin Holena

In Cz-Si growth, concave and W-shaped solid–liquid interfaces and undercooled melts are primary contributors to the degradation of crystal quality, particularly structure loss, defect generation, non-uniform dopant distribution, and crystal twisting, making their avoidance crucial. We employed a classification tree machine learning approach to investigate the importance of 15 process and furnace design parameters and their critical ranges for the formation of various types of W-shaped interfaces and undercooled melts at different scales, both in dimensional and dimensionless forms, and across a wide range of process conditions. Moreover, symbolic regression was used to predict minimal melt temperature based on the aforementioned inputs. Training data were obtained by CFD modeling. The classification tree for combined output identified the Grashof, Reynolds for crystal, and Stefan numbers, along with the percentage of silicon solidified, as the most decisive inputs. Symbolic regression for the temperature of undercooled melt highlighted crucible diameter, pulling rate, and the power of the bottom heater as key parameters.

在铜铟镓硒的生长过程中，凹形和 W 形固液界面以及过冷熔体是导致晶体质量下降的主要因素，尤其是结构损失、缺陷产生、掺杂剂分布不均匀以及晶体扭曲，因此避免这些因素至关重要。我们采用分类树机器学习方法，研究了 15 个工艺和熔炉设计参数及其临界范围在不同尺度、不同工艺条件下对形成各种类型 W 型界面和欠冷熔体的重要性，包括有维和无维参数。此外，还使用符号回归法根据上述输入预测最小熔体温度。训练数据通过 CFD 建模获得。综合输出的分类树将格拉肖夫数、晶体雷诺数和斯特凡数以及硅凝固的百分比确定为最重要的输入。对过冷熔体温度的符号回归突出表明，坩埚直径、拉速和底部加热器的功率是关键参数。

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引用次数: 0

Structural characteristics of glycine aggregates grown under sub-Terahertz irradiation 亚太赫兹辐照下生长的甘氨酸聚合体的结构特征

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2024-09-19 DOI: 10.1016/j.jcrysgro.2024.127889

Mana Kusama , Kazuma Iwasaki , Sho Fujii , Tsuyoshi Kimura , Masaya Yamamoto , Tadao Tanabe

Although crystal growth methods in which intramolecular bonds are induced by infrared irradiation have been investigated recently, there is very little reported on the use of electromagnetic waves to enhance growth rates. In this study, we have irradiated with 40 GHz sub-Terahertz waves during the solution growth of glycine and investigated the effect on crystal growth. Highly crystalline α-glycine grew with or without irradiation and aggregates were formed. The growth rate, however, was strongly affected by sub-Terahertz wave irradiation, with the growth rate from nucleation approximately doubling. Powder X-ray structure analysis showed that the unique diffraction peaks of glycine tended to partially shift to lower angles, with the (−110) plane and (011) plane spacing expanding by about 0.1 % and 0.15 %, respectively. The FTIR results in the terahertz region show a large absorption near 6 THz, suggesting that the structure contains water molecules.

虽然最近已经研究了通过红外辐照诱导分子内键的晶体生长方法，但关于利用电磁波提高生长速度的报道却很少。在这项研究中，我们在甘氨酸的溶液生长过程中使用了 40 GHz 亚太赫兹波进行辐照，并研究了其对晶体生长的影响。无论是否进行辐照，高结晶度的 α 甘氨酸都能生长，并形成聚集体。然而，次太赫兹波辐照对晶体生长速度的影响很大，从成核开始的生长速度大约增加了一倍。粉末 X 射线结构分析表明，甘氨酸的独特衍射峰有部分向低角度移动的趋势，(-110) 平面和 (011) 平面间距分别扩大了约 0.1 % 和 0.15 %。太赫兹区域的傅立叶变换红外光谱结果显示，在 6 太赫兹附近有大量吸收，表明该结构含有水分子。

引用次数: 0

Crystal growth and magnetocaloric effect of Li9Fe3(P2O7)3(PO4)2 with Kagome lattice 具有 Kagome 晶格的 Li9Fe3(P2O7)3(PO4)2 的晶体生长和磁致效应

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2024-09-19 DOI: 10.1016/j.jcrysgro.2024.127896

Yicai Zhang , Zuhua Chen , Shilin Yu , Guochun Zhang , Jiahao Gao , Changkun Wang , Qiaoyan Dong , Jun Shen , Heng Tu

With the growing demand for low-temperature technologies, magnetic refrigeration, which is based on magnetocaloric effect (MCE) of magnetic materials, has attracted increasing attention. In this work, Li₉Fe₃(P₂O₇)₃(PO₄)₂ (LFPP) crystals have been grown by the high-temperature flux method. The crystal structural characterization is analyzed, and its magnetocaloric effect (MCE) is in detail investigated for the first time. The maximum magnetic entropy changes (−ΔS_M) of LFPP under a field change of 0–7 T are determined to be 4.6 J/kg·K (H⊥c) and 4.1 J/kg·K (H//c) at 4 K and 5 K, respectively. The slow decrease of −ΔS_M around the phase transition temperature implies that LFPP has a large refrigeration temperature range.

随着人们对低温技术的需求日益增长，基于磁性材料磁致效应（MCE）的磁制冷技术越来越受到关注。在这项工作中，采用高温通量法生长了 Li9Fe3(P2O7)3(PO4)2 (LFPP) 晶体。分析了晶体的结构特征，并首次详细研究了它的磁致效应（MCE）。在 0-7 T 的磁场变化下，LFPP 在 4 K 和 5 K 时的最大磁熵变化（-ΔSM）分别为 4.6 J/kg-K (H⊥c) 和 4.1 J/kg-K (H//c)。相变温度附近 -ΔSM 的缓慢下降意味着 LFPP 具有较大的制冷温度范围。

引用次数: 0

Controlling the thiourea for optimized growth of CdS nanorod arrays for improved photoelectrochemical water splitting 控制硫脲以优化 CdS 纳米棒阵列的生长，从而提高光电化学水分离效果

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2024-09-16 DOI: 10.1016/j.jcrysgro.2024.127893

Rem Yann , Sreymean Ngok , Magnus Willander , Chan Oeurn Chey , Omer Nur

Energy and the environment are very important issues to secure, preserve and improve our modern lifestyle. The conversion of sunlight into hydrogen and oxygen via photoelectrochemical (PEC) water splitting is one of the most potential routes for clean energy. Cadmium sulfide (CdS) is a promising semiconductor for utilization as a photoanode. In this work, CdS has been grown via the hydrothermal method by optimizing the thiourea concentration. The growth of CdS with equal concentration of Cd²⁺ and S^2-demonstrates the crowded hexagonal-shaped nanorod arrays with small diameter and relatively longer length, and it exhibits the highest photocurrent density due to some factors, such as high length-to-diameter ratio, large reaction area, suitable flat band potential, slow charge recombination rate, fast charge transfer, suitable conduction and valence band edges, and surface reaction kinetics. This work will be of potential to further develop improved nanocomposites of CdS nanorods for hydrogen production and research in related fields.

能源和环境是确保、保护和改善我们现代生活方式的重要问题。通过光电化学（PEC）分水将太阳光转化为氢气和氧气是清洁能源最有潜力的途径之一。硫化镉（CdS）是一种很有希望用作光阳极的半导体。在这项工作中，通过优化硫脲浓度，采用水热法生长了 CdS。在 Cd2+ 和 S2-浓度相等的情况下生长的 CdS 显示出拥挤的六角形纳米棒阵列，其直径较小，长度相对较长，并且由于高长径比、大反应面积、合适的平带电位、缓慢的电荷重组速率、快速的电荷转移、合适的导带和价带边缘以及表面反应动力学等因素，它表现出最高的光电流密度。这项工作将有望进一步开发出改进的 CdS 纳米棒纳米复合材料，用于制氢和相关领域的研究。

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引用次数: 0

Growth of CuO NPs layers on TiO2 NTs using vacuum thermal evaporation 利用真空热蒸发技术在二氧化钛氮氧化物上生长氧化铜氮氧化物层

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2024-09-16 DOI: 10.1016/j.jcrysgro.2024.127895

Loubaba Attou , Habiba Mamori , Boujemaâ Jaber , Hamid Ez-Zahraouy , Khadija El Maalam , Mohamed Balli

CuO/TiO₂ composites have been reported to exhibit higher potential for various applications (electronics, energy storage, and sensor technology…). This study investigates the impact of different film thicknesses on the properties of CuO NPs on TiO₂ NTs. CuO NPs were deposited onto TiO₂ NTs using vacuum thermal evaporation, with thicknesses ranging from 5 to 30 nm. A quartz crystal monitor measured evaporation rate and film thickness at a substrate temperature of 350 °C. Following the deposition process, the samples were thermally treated through air annealing at 400 °C for 1 h.

XRD analysis showed that all films had an anatase phase. The annealed sample also had a confirmed CuO phase, indicating good crystallinity. Crystallite size and strain varied with film thickness, assessed using the Williamson-Hall method and Rietveld refinement. The deposition and distribution of CuO on TiO₂ NTs were verified using Scanning Electron Microscopy (SEM) combined with energy dispersive spectroscopy (EDS). Optimizing the materials nanostructures requires controlling film thickness and annealing. Insights from this study can improve nanomaterial fabrication techniques, which could enhance their performance in technological applications.

据报道，CuO/TiO2 复合材料在各种应用领域（电子学、能量存储和传感器技术......）表现出更大的潜力。本研究探讨了不同薄膜厚度对 TiO2 NT 上 CuO NPs 性能的影响。采用真空热蒸发法将氧化铜氮氧化物沉积到二氧化钛氮氧化物上，薄膜厚度从 5 纳米到 30 纳米不等。在基底温度为350 °C时，石英晶体监测器测量了蒸发速率和薄膜厚度。沉积过程结束后，样品在 400 °C 下空气退火 1 小时，进行热处理。XRD 分析表明，所有薄膜都具有锐钛矿相，退火后的样品还具有确认的 CuO 相，表明结晶度良好。使用威廉森-霍尔法和里特维尔德细化法评估了晶体尺寸和应变随薄膜厚度的变化。使用扫描电子显微镜（SEM）结合能量色散光谱（EDS）验证了二氧化钛（TiO2）NT 上氧化铜的沉积和分布。优化材料的纳米结构需要控制薄膜厚度和退火。这项研究的启示可以改进纳米材料的制造技术，从而提高其在技术应用中的性能。

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