Journal of Crystal Growth最新文献

Point-seed-oriented and partial shape-restricted growth of KDP crystals: Numerical simulation and experimental study KDP晶体的点晶取向和部分形限生长：数值模拟和实验研究

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2025-09-23 DOI: 10.1016/j.jcrysgro.2025.128347

Jiezhao Lv , Peng Sun , Dexiao Fang , Changfeng Fang , Xian Zhao

{"title":"Point-seed-oriented and partial shape-restricted growth of KDP crystals: Numerical simulation and experimental study","authors":"Jiezhao Lv , Peng Sun , Dexiao Fang , Changfeng Fang , Xian Zhao","doi":"10.1016/j.jcrysgro.2025.128347","DOIUrl":"10.1016/j.jcrysgro.2025.128347","url":null,"abstract":"<div><div>Numerical simulations are performed to understand the mass transfer in point-seed-oriented and partial shape-restricted growth of potassium dihydrogen phosphate (KDP) crystals. A type-II cut point-seed is positioned in between two parallel and rotating platforms separated by a fixed distance. Numerical simulations show that the periodic rotational motion of the two adjacent parallel platforms can lead to significant differences in surface supersaturation across the same prismatic face. The non-steady and non-laminate flow result in defects such as growth avoids and inclusions that seriously affect the optical properties of the crystal. In some cases, it results in the failure of the growth (i.e., significant cracks). Lack of surface supersaturation homogeneity results in significant difference in step-motion rates and in the step-slope, which further cause step bending and even the formation of macroscopic steps. Inclusions and avoids are often filled with solution trapped in gaps between macroscopic steps. We have found both experimentally and numerically that increasing the separation between the two parallel platforms to above 30 mm can significantly mitigate the supersaturation gradient on the crystal surface and drastically reduce the number of inclusion defects.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"670 ","pages":"Article 128347"},"PeriodicalIF":2.0,"publicationDate":"2025-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155664","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Deep learning with slow feature analysis for silicon single crystal growth state identification in Czochralski process 基于慢特征分析的深度学习在单晶生长状态识别中的应用

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2025-09-21 DOI: 10.1016/j.jcrysgro.2025.128346

Jun-Chao Ren, Ding Liu, Zi-Xing Huang, Yin Wan

{"title":"Deep learning with slow feature analysis for silicon single crystal growth state identification in Czochralski process","authors":"Jun-Chao Ren, Ding Liu, Zi-Xing Huang, Yin Wan","doi":"10.1016/j.jcrysgro.2025.128346","DOIUrl":"10.1016/j.jcrysgro.2025.128346","url":null,"abstract":"<div><div>The preparation of semiconductor silicon single crystal for advanced chip process requirements is the top priority of the current integrated circuit industry development. In this process, real-time and accurate identification of the growth state of Czochralski silicon single crystals (Cz-SSC) is the key to ensuring stable and improved crystal quality. Due to the switching of operating conditions, environmental disturbances and high dependence on operator experience, the process dynamics are highly complex, and minor anomalies are often masked by normal operating conditions, posing a serious challenge to real-time crystal growth state identification. To solve this problem, this study proposes a Cz-SSC growth state identification method that integrates slow feature analysis (SFA) and deep learning. Firstly, SFA extracts slow features reflecting the nature of process evolution at the time scale to reduce the masking effect of anomalies on minor anomalies from the source; subsequently, a multi-scale one-dimensional convolutional neural network (MS-1DCNN) is designed and a cross-attention mechanism is introduced for features extracted from convolutional kernels of various scales to achieve the weighted fusion of cross-scalar information, thus comprehensively capturing the discriminative patterns at different time scales. Finally, the experimental results demonstrate that the proposed method achieves superior performance in crystal growth state recognition, outperforming other approaches in terms of overall accuracy, recall, and F1-score. This Cz-SSC growth state identification method provides an effective solution for fine control of the semiconductor SSC manufacturing process.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"670 ","pages":"Article 128346"},"PeriodicalIF":2.0,"publicationDate":"2025-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155665","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Optimization of process parameters to control diameter fluctuation during the monocrystalline silicon growth by hybrid neural network model and genetic algorithm 利用混合神经网络模型和遗传算法优化单晶硅生长过程中控制直径波动的工艺参数

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2025-09-20 DOI: 10.1016/j.jcrysgro.2025.128345

Jun Xiao , Qitao Zhang , Tai Li , Peilin He , Yuwei Wang , Kaifeng Liao , Guoqiang Lv , Xingwei Yang , Wenhui Ma

{"title":"Optimization of process parameters to control diameter fluctuation during the monocrystalline silicon growth by hybrid neural network model and genetic algorithm","authors":"Jun Xiao , Qitao Zhang , Tai Li , Peilin He , Yuwei Wang , Kaifeng Liao , Guoqiang Lv , Xingwei Yang , Wenhui Ma","doi":"10.1016/j.jcrysgro.2025.128345","DOIUrl":"10.1016/j.jcrysgro.2025.128345","url":null,"abstract":"<div><div>This study aims to construct a neural network-genetic algorithm collaborative optimization framework through a data-driven approach to break the challenge of diameter fluctuation control under multi-parameter coupling. Based on real-time data from the isothermal stage of industrial single crystal furnaces, the Grey Wolf Optimization algorithm is used to dynamically optimize the weights and hyperparameters of the Multi-Layer Perceptron. Consequently, a high-precision surrogate model of the relationship between process parameters (heater power, crystal pulling speed, crucible lift speed) and diameter fluctuation is established. Meanwhile, the thermal field stability is optimized by the Genetic Algorithm (i.e., a global search of the optimal parameter combination). Verified by factory measurements, the model prediction error is less than 5 %, and the optimal solutions for heater power, crystal pulling and crucible lift speed are 53.64 kW, 1.308 mm/min, and 0.163 mm/min, respectively. Actual production shows that the average diameter fluctuation of the crystal rods in the optimization group decreased from 1.48 ± 0.23 mm (original process) to 0.60 ± 0.15 mm (mean ± standard deviation), a reduction of 59.4 %. The coupled method significantly enhances the intelligence level of the single crystal silicon growth process, and provides a generalizable optimization paradigm for the preparation of other semiconductor crystals.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"670 ","pages":"Article 128345"},"PeriodicalIF":2.0,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155666","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Structural, resistivity and magnetic properties of millimeter-sized HfAl3 single crystals grown from Al flux Al助焊剂生长的毫米级HfAl3单晶的结构、电阻率和磁性能

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2025-09-19 DOI: 10.1016/j.jcrysgro.2025.128344

Kexin Bi , Wansong He , Lewei Chen , Yunqing Shi , Junkun Yi , Jihai Yuan , Qingsong Liu , Haoyu He , Yadong Gu , Shaoliang Wang , Xiao Ren , Mingwei Ma , Genfu Chen , Zhian Ren

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Thermal stabilization of porous silicon: A key step for high-quality SiGe epitaxy 多孔硅的热稳定：高质量SiGe外延的关键步骤

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2025-09-12 DOI: 10.1016/j.jcrysgro.2025.128342

Mohammed Ibrahim , Mansour Aouassa , Saud A. Algarni , A.K. Aladim , Maha A. Alenizi , K.M.A. Saron , Mohammed Bouabdellaoui , Isabelle Berbezier

{"title":"Thermal stabilization of porous silicon: A key step for high-quality SiGe epitaxy","authors":"Mohammed Ibrahim , Mansour Aouassa , Saud A. Algarni , A.K. Aladim , Maha A. Alenizi , K.M.A. Saron , Mohammed Bouabdellaoui , Isabelle Berbezier","doi":"10.1016/j.jcrysgro.2025.128342","DOIUrl":"10.1016/j.jcrysgro.2025.128342","url":null,"abstract":"<div><div>This study focuses on the epitaxial growth of virtual silicon–germanium (SiGe) substrates on porous silicon (PSi). Epitaxy was performed on different types of PSi substrates, with or without prior thermal annealing. Morphological and structural investigations by atomic force microscopy (AFM), transmission electron microscopy (TEM) and X-ray diffraction (XRD) show that epitaxial SiGe films grown on double-layer PSi substrates, annealed at 1100 °C, exhibit significantly higher crystalline quality than those grown on unannealed PSi substrates or PSi substrates annealed at temperatures lower than or equal to 900 °C. This improvement is attributed to the beneficial effects of 1100 °C annealing, which leads to stress relaxation, internal microstructure stabilization and significant improvement of PSi surface morphology. In contrast, direct growth of SiGe on unannealed PSi, even at moderate temperature (∼400 °C), induces structural degradation of the porous buffer, leading to a very high dislocation density in the epitaxially grown SiGe films. A well-optimized thermal treatment of PSi substrates promotes the growth of high-quality virtual SiGe substrates on PSi that is both efficient and economically viable for the development of SiGe-based photovoltaic cells and microelectronic devices.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"670 ","pages":"Article 128342"},"PeriodicalIF":2.0,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145097004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Phase tunable synthesis of Cu2–xS nanocrystals and their cation substitution reactions Cu2-xS纳米晶的相位可调合成及其阳离子取代反应

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2025-09-10 DOI: 10.1016/j.jcrysgro.2025.128341

Jian Guo , Linchao Tan , Yedong Shi , Shaobo He , Xinxin Zhang , Lihui Chen

{"title":"Phase tunable synthesis of Cu2–xS nanocrystals and their cation substitution reactions","authors":"Jian Guo , Linchao Tan , Yedong Shi , Shaobo He , Xinxin Zhang , Lihui Chen","doi":"10.1016/j.jcrysgro.2025.128341","DOIUrl":"10.1016/j.jcrysgro.2025.128341","url":null,"abstract":"<div><div>Cation substitution (CS) reactions utilization of Cu<sub>2–</sub><em><sub>x</sub></em>S nanocrystals (NCs) have been emerged as a powerful postsynthetic method to produce complicated nanostructures and metastable phases. For these CS reactions, it is of great importance to tune the crystal phase of the Cu<sub>2–</sub><em><sub>x</sub></em>S NCs since it strongly affects the reaction kinetics, thermodynamics, reaction intermediates, and final products. Herein, hexagonal phase djurleite Cu<sub>1.94</sub>S NCs and cubic phase digenite Cu<sub>1.8</sub>S NCs were synthesized by simple tuning of the amount of thiourea (TU). In particular, 0.5 mmol of TU is responsible for the formation of the djurleite Cu<sub>1.94</sub>S NCs, while 5.0 mmol of TU is responsible for the formation of the digenite Cu<sub>1.8</sub>S NCs. Afterward, the Cu<sub>1.94</sub>S and digenite Cu<sub>1.8</sub>S NCs were substituted by Zn<sup>2+</sup> and Cd<sup>2+</sup>, and hexagonal phase wurtzite ZnS and CdS NCs, cubic phase zincblende ZnS and CdS NCs were produced. These ZnS and CdS NCs are otherwise difficult to access without the CS method. Therefore, our findings in the present study provide a straightforward phase tuning of the Cu<sub>2–</sub><em><sub>x</sub></em>S NCs, and potential guidelines for creating more complicated metal sulfide nano(hetero)structures.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"670 ","pages":"Article 128341"},"PeriodicalIF":2.0,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145044824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Crystallinity and defect reduction in Cs2AgBiBr6: Key factors for enhanced optoelectronic devices Cs2AgBiBr6的结晶度和缺陷减少：增强光电器件的关键因素

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2025-09-05 DOI: 10.1016/j.jcrysgro.2025.128331

Fahad K. Alshammari , Achref Jebnouni , Mohamed Bouzidi , Sana Ben Khalifa , Mohamed Ben Bechir

{"title":"Crystallinity and defect reduction in Cs2AgBiBr6: Key factors for enhanced optoelectronic devices","authors":"Fahad K. Alshammari , Achref Jebnouni , Mohamed Bouzidi , Sana Ben Khalifa , Mohamed Ben Bechir","doi":"10.1016/j.jcrysgro.2025.128331","DOIUrl":"10.1016/j.jcrysgro.2025.128331","url":null,"abstract":"<div><div>Cs<sub>2</sub>AgBiBr<sub>6</sub> double perovskites have attracted considerable interest for optoelectronic applications owing to their favorable structural stability and nontoxic composition. In this study, we systematically investigate the influence of two crystal growth methods—Single Crystal Growth (SCG) and Seed-Assisted Growth (SAG)—on the morphology, crystallinity, defect landscape, and optoelectronic properties of Cs<sub>2</sub>AgBiBr<sub>6</sub> single crystals. Comprehensive characterization using scanning electron microscopy (SEM), X-ray diffraction (XRD), photoluminescence (PL), time-resolved photoluminescence (TRPL), impedance spectroscopy, and current–voltage (I–V) measurements reveals that the SAG method yields significantly larger and more uniform grains, improved structural coherence, and reduced defect densities compared to the SCG route. The narrower XRD peaks and reduced lattice strain in SAG-grown crystals confirm their higher crystallinity, while TRPL analysis shows extended carrier lifetimes, indicating suppressed nonradiative recombination due to fewer trap states. These structural and optical improvements directly enhance device performance, as SAG-grown crystals exhibit a 2.5-fold increase in photocurrent and a markedly lower dark current in photodetector configurations. Our findings establish the SAG technique as a superior and scalable approach for producing high-quality Cs<sub>2</sub>AgBiBr<sub>6</sub> crystals, positioning them as promising candidates for next-generation optoelectronic devices, including photodetectors and light-emitting components.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"670 ","pages":"Article 128331"},"PeriodicalIF":2.0,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145044880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Thermodynamical analysis of polytype stability during top-seeded solution growth of SiC using 2D nucleation theory 基于二维成核理论的SiC顶种溶液生长多型稳定性热力学分析

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2025-09-05 DOI: 10.1016/j.jcrysgro.2025.128332

Koichi Kakimoto , Satoshi Nakano

引用次数: 0

Influence of Indium and Arsenic composition on structural properties of InGaAsSb/AlGaAsSb multi-quantum wells grown by molecular beam epitaxy 铟和砷组成对分子束外延生长InGaAsSb/AlGaAsSb多量子阱结构特性的影响

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2025-09-03 DOI: 10.1016/j.jcrysgro.2025.128330

Ayşe Aygül Ergürhan , Burcu Arpapay , Sabahattin Erinç Erenoğlu , Mustafa Kulakcı , Behçet Özgür Alaydin , Didem Altun , Uğur Serincan

{"title":"Influence of Indium and Arsenic composition on structural properties of InGaAsSb/AlGaAsSb multi-quantum wells grown by molecular beam epitaxy","authors":"Ayşe Aygül Ergürhan , Burcu Arpapay , Sabahattin Erinç Erenoğlu , Mustafa Kulakcı , Behçet Özgür Alaydin , Didem Altun , Uğur Serincan","doi":"10.1016/j.jcrysgro.2025.128330","DOIUrl":"10.1016/j.jcrysgro.2025.128330","url":null,"abstract":"<div><div>InGaAsSb/AlGaAsSb multiple quantum well (MQW) structures, with their narrow band gap quaternary compositions, are well suited for devices operating in the 2–3 µm mid-infrared spectral region. In this study, to investigate the effects of compositional variation on structural properties, twenty-period MQW structures were grown by molecular beam epitaxy on (100) GaSb substrates. It was demonstrated that varying the In and As concentrations while keeping the V/III beam equivalent pressure ratio constant significantly influenced the surface morphology due to defect formation. It was found that in the samples with In concentrations ranging from 30 to 44%, low As content resulted in an increase in the number of surface defects. However, a smooth, defect-free surface and improved crystal quality were achieved at 44% In content when the As concentration in the QWs was 14% or higher. These results highlight the importance of precise compositional tuning for achieving high structural quality in mid-infrared MQW devices.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"670 ","pages":"Article 128330"},"PeriodicalIF":2.0,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144997669","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Study on the effect of deuterium effect on the morphology of magnesium carbonate whiskers 氘效应对碳酸镁晶须形貌影响的研究

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2025-09-03 DOI: 10.1016/j.jcrysgro.2025.128329

Tianbo Fan , Liqiang Jiao , Qiutong Li , Hongyu Zhao , Yihui Qu , Hongfan Guo , Xue Li , Li Li , Cong Li , Shijie Wang

{"title":"Study on the effect of deuterium effect on the morphology of magnesium carbonate whiskers","authors":"Tianbo Fan , Liqiang Jiao , Qiutong Li , Hongyu Zhao , Yihui Qu , Hongfan Guo , Xue Li , Li Li , Cong Li , Shijie Wang","doi":"10.1016/j.jcrysgro.2025.128329","DOIUrl":"10.1016/j.jcrysgro.2025.128329","url":null,"abstract":"<div><div>It is proposed that perturbations of several tens of ppm in the deuterium content of normal water may exert measurable influences on certain physical or chemical properties during aqueous-phase processes, a phenomenon termed the “deuterium effect”. Magnesium carbonate trihydrate whiskers (MgCO<sub>3</sub>·3H<sub>2</sub>O) were synthesized by the co-precipitation method using magnesium chloride and sodium carbonate solutions prepared with water containing 40–165 ppm deuterium at 30–70 °C, and the influence of the deuterium effect on product morphology was investigated. The products were characterized using XRD and SEM. The solubility during the reaction process was determined by titration. The results indicate that changes in deuterium content lead to significant variations in crystal morphology, transforming from predominantly hexagonal prisms to mainly tetragonal prisms with inclusions of irregular hexagonal prism structures. At the same temperature, the solubility of magnesium chloride and calcium carbonate in water with different deuterium contents varies by up to 22.24 % and 17.91 %, respectively, demonstrating the significant impact of the deuterium effect on water activity and crystallization products. Theoretical calculations using the Morphology and CASTEP modules revealed that a reduction in deuterium content causes the dominant exposed facet of MgCO<sub>3</sub>·3H<sub>2</sub>O to gradually change from the (212) plane to the (301) plane, leading to a transformation of the crystals from hexagonal to tetragonal prisms. The p orbital governs the stability of surface structures, and variations in deuterium content activate the density of states of the (212) plane, resulting in morphological changes. The theoretical results are consistent with the experimental observations.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"669 ","pages":"Article 128329"},"PeriodicalIF":2.0,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144997392","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0