{"title":"Engineering 2D surface patterns with the VicCa model","authors":"Marta A. Chabowska, Magdalena A. Załuska-Kotur","doi":"10.1016/j.jcrysgro.2025.128245","DOIUrl":"10.1016/j.jcrysgro.2025.128245","url":null,"abstract":"<div><div>We employed the VicCA model to investigate the influence of step-edge potential on nucleation and pattern formation, aiming to gain deeper insights into island formation and growth. Our study explores fractal structures governed by general cellular automaton (CA) rules, as well as compact structures shaped by density-dependent attachment mechanisms. We demonstrate that modifications to the CA framework have a significant impact on surface patterning, emphasizing the critical role of adatom attachment rules and the substantial effect of potential well depth on the resulting surface morphology.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"667 ","pages":"Article 128245"},"PeriodicalIF":1.7,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144240923","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}
{"title":"An assessment of germane and tin tetrachloride for GeSn epitaxy","authors":"J.M. Hartmann, T. Marion","doi":"10.1016/j.jcrysgro.2025.128280","DOIUrl":"10.1016/j.jcrysgro.2025.128280","url":null,"abstract":"<div><div>We have screened at 325 °C chamber pressures, precursor flows and H<sub>2</sub> carrier flows to overcome some of the limitations encountered when growing GeSn layers with a GeH<sub>4</sub> + SnCl<sub>4</sub> + H<sub>2</sub> chemistry (e.g. a reduced Sn content compared to Ge<sub>2</sub>H<sub>6</sub>, a definite lack of uniformity at 400 Torr and so on). Layers grown at 300 Torr and 400 Torr were smooth and of high crystalline quality provided that GeH<sub>4</sub> and SnCl<sub>4</sub> flows were high and low enough, respectively. Meanwhile, layers grown at 100 Torr and 200 Torr were milky and of lesser quality. The best tradeoff in terms of GeSn growth rates, Sn contents and layer uniformity, which was vastly improved, was reached at 300 Torr. A halving of the H<sub>2</sub> carrier flow yielded even higher growth rates and Sn concentrations. Over the 301 °C–349 °C range, we succeeded in depositing, at 300 Torr, layers with growth rates that were similar to that with our reference Ge<sub>2</sub>H<sub>6</sub> + SnCl<sub>4</sub> process (at 100 Torr). Activation energies associated to the growth rate increase with the temperature were slightly higher with GeH<sub>4</sub> than with Ge<sub>2</sub>H<sub>6</sub> (12–13 kcal. mol.<sup>−1</sup> versus 10 kcal. mol.<sup>−1</sup>). Meanwhile, Sn contents did not drop as fast, as the temperature increased, with GeH<sub>4</sub> than with Ge<sub>2</sub>H<sub>6</sub> (−1.1 %/10 °C versus −1.6 %/10 °C slopes). The highest Sn content achievable with our curent GeH<sub>4</sub> process conditions was otherwise not as high than with Ge<sub>2</sub>H<sub>6</sub>, however (10.3 % versus 14.2 %). Switching to temperatures lower than 301 °C to reach even higher Sn contents was unfortunately not an option with our current GeH<sub>4</sub> + SnCl<sub>4</sub> + H<sub>2</sub> process, as layers were islanded, then.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"667 ","pages":"Article 128280"},"PeriodicalIF":1.7,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144230188","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}
Dengnian Li, Changzhen Wang, Chao Qi, Jiancheng Li, Zeqi Zhong, Yao Yang, Zaoyang Li, Lijun Liu
{"title":"Effect of inner crucible structure on oxygen transport and distribution in the continuous-feeding Czochralski growth of silicon crystal","authors":"Dengnian Li, Changzhen Wang, Chao Qi, Jiancheng Li, Zeqi Zhong, Yao Yang, Zaoyang Li, Lijun Liu","doi":"10.1016/j.jcrysgro.2025.128278","DOIUrl":"10.1016/j.jcrysgro.2025.128278","url":null,"abstract":"<div><div>Oxygen is one of the critical impurities in silicon crystal. Excessive oxygen leads to increased defects and reduced efficiency of solar cells. Therefore, reducing oxygen concentration is a key issue in silicon crystal. In this study, a global 2D model for the continuous-feeding Czochralski silicon crystal growth was established, considering the complex shapes of the corner and bottom of inner crucible, instead of using the simplification of cylindrical partition. Based on the model, numerical simulations were performed to investigate the effects of inner crucible diameter, corner shape, and bottom shape on flow, heat transfer and oxygen transport. The results indicate that the structure of inner crucible significantly affects the oxygen transport. With the decrease of inner crucible diameter, the oxygen at crystallization interface increases; with the increase of curvature radius of inner crucible corner, the oxygen at crystallization interface decreases; with the increase of curvature radius of inner crucible bottom, the oxygen at crystallization interface increases. The findings can provide guidance for the optimization of inner crucible structure for reducing oxygen concentration.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"667 ","pages":"Article 128278"},"PeriodicalIF":1.7,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144240922","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}
Zuodong Yang , Wei Si , Fanzheng Meng , Ning Wang , Guangjing Jiang , Yuan Zong , Ling Zhao , Gance Dai
{"title":"Analysis and optimization of surface quality of polysilicon in a 45-pair rods reduction furnace","authors":"Zuodong Yang , Wei Si , Fanzheng Meng , Ning Wang , Guangjing Jiang , Yuan Zong , Ling Zhao , Gance Dai","doi":"10.1016/j.jcrysgro.2025.128279","DOIUrl":"10.1016/j.jcrysgro.2025.128279","url":null,"abstract":"<div><div>To obtain dense polysilicon, the deposition rate of polysilicon needs to match the surface migration rate of silicon atoms. For this purpose, a numerical model has been established to simulate the deposition rate and the surface temperature of the polysilicon rods in a 45-pair rods reduction furnace. Meanwhile, the distributions of dense and non-dense polysilicon on the rod surface have been obtained based on the production data from the same reduction furnace. Further, by combining the numerical results and production data, a ratio <em>Φ</em> of deposition rate to temperature has been proposed. The results reveal that <em>Φ</em> of 8.0 × 10<sup>-</sup><sup>7</sup> kg·m<sup>-</sup><sup>2</sup>·s<sup>-</sup><sup>1</sup>·K<sup>-</sup><sup>1</sup> can be considered as a threshold to ensure the generation of dense polysilicon. Moreover, using the established numerical model, the operation conditions have been optimized. On the basis of existing operation conditions, reducing the surface temperature of the rods by 10 % and the trichlorosilane (TCS) feed rate by 10 % is beneficial for the generation of dense polysilicon. The results show that the proportion of non-dense polysilicon can be decreased to 2.3 % with a 4.3 % reduction in the deposition rate under the optimized operation conditions.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"667 ","pages":"Article 128279"},"PeriodicalIF":1.7,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144230189","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}
Shijian Xiong , Hua Liu , Jianwei Cao , Linjian Fu , Dejun Li
{"title":"Multimodal perception fusion control for Czochralski crown growth in a full-scale furnace","authors":"Shijian Xiong , Hua Liu , Jianwei Cao , Linjian Fu , Dejun Li","doi":"10.1016/j.jcrysgro.2025.128277","DOIUrl":"10.1016/j.jcrysgro.2025.128277","url":null,"abstract":"<div><div>The existing controllers are stuck in simulation, lack of applicability for nonlinearity uncertainty, and time variation of Czochralski crown growth. To address the problem, a multimodal perception fusion control (MPFC) method was developed to predict the pulling speed, thereby effectively controlling diameter of the crown growth. To enhance the generalizability, MPFC integrates cross-modal knowledge mining and crystal growth kinetics to ensure the quality of crown growth and minimize the invalid output of the controller. MPFC achieved high accuracy on the test dataset, with an R-squared of 0.87 and a root mean square error (RMSE) of 3.64. MPFC was compared with ResNet + temporal convolutional network, proportional-integral-derivative controllers, and physics-informed neural networks using RMSE. Furthermore, its high accuracy, adaptability, and generalizability were validated through control simulations and experiments in a full-scale furnace under a wide range of initial states. MPFC is a robust method for industrial crown growth, enabling precise diameter control and maximized survival rates.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"667 ","pages":"Article 128277"},"PeriodicalIF":1.7,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144230187","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}
{"title":"Epitaxial growth of FAPbI3 thin films on MAPbBr3 single crystals via vapor phase deposition with suppressed halide ion migration","authors":"Zihao Liu , Daisuke Nakamura , Masato Sotome , Tomonori Matsushita , Takashi Kondo","doi":"10.1016/j.jcrysgro.2025.128275","DOIUrl":"10.1016/j.jcrysgro.2025.128275","url":null,"abstract":"<div><div>Achieving epitaxial heterostructures of metal halide perovskites (MHPs) remains a significant challenge due to the high mobility of halide ions and the dissolution of underlayer perovskites in solution processes. Here, we demonstrate the vapor-phase epitaxial growth of FAPbI<sub>3</sub> thin films on MAPbBr<sub>3</sub> single-crystal substrates by co-evaporation of FAI and PbI<sub>2</sub>. The use of different A-site cations (FA<sup>+</sup> for the thin film and MA<sup>+</sup> for the substrate) effectively suppressed interfacial halide ion migration, enabling the formation of a stable iodine-rich perovskite layer. Structural analyses including X-ray diffraction, X-ray photoelectron spectroscopy, and spectroscopic ellipsometry confirm the epitaxial nature and compositional stability of the films. Reciprocal space mapping reveals a relaxed epitaxial relationship with nanometer-scale grain domains. Importantly, the heterostructure maintained its crystallinity over 70 days without the formation of δ-phase FAPbI<sub>3</sub>, highlighting enhanced long-term stability. These findings offer insights into controlling interdiffusion in MHP epitaxy and open pathways for developing next-generation perovskite-based heterostructures.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"667 ","pages":"Article 128275"},"PeriodicalIF":1.7,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144254996","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}
Ziting You , Chenger Wang , Tianpeng Zhang , Jinqiu Yu
{"title":"Whether Cs3Cu2I5 crystal is a fast-decaying scintillator?","authors":"Ziting You , Chenger Wang , Tianpeng Zhang , Jinqiu Yu","doi":"10.1016/j.jcrysgro.2025.128276","DOIUrl":"10.1016/j.jcrysgro.2025.128276","url":null,"abstract":"<div><div>The zero-dimensional perovskite Cs<sub>3</sub>Cu<sub>2</sub>I<sub>5</sub> crystal has been widely investigated as a novel high performance scintillator in recent years. However, there is an obvious contradiction on the scintillation decay time (microsecond-scale vs. nanosecond-scale) in different reports, which causes confusion on the intrinsic properties of the crystal as well as its application potentials. In order to dispel the confusion, Cs<sub>3</sub>Cu<sub>2</sub>I<sub>5</sub> single crystals were grown by both the vertical Bridgman and aqueous solution methods and their scintillation properties were investigated and compared. Despite differences in crystal quality, all samples grown by both methods exhibit a dominant slow-decaying component with an average decay time of about 880 ns, without significant difference in the timing property. This result is consistent with most of the previous reports, indicating that Cs<sub>3</sub>Cu<sub>2</sub>I<sub>5</sub> crystal is more probably a slow-decaying scintillator, contrary to recent claims of fast-decaying behavior. The slow decaying characteristic is also consistent with its self-trapped excitons (STE) luminescence mechanism.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"667 ","pages":"Article 128276"},"PeriodicalIF":1.7,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204034","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}
R. Purusothaman , M. Shankar , A.Dennis Raj , M. Vimalan , I.Vetha Potheher
{"title":"Influence of urea on growth habit and Physicochemical properties of ammonium chloride single crystal","authors":"R. Purusothaman , M. Shankar , A.Dennis Raj , M. Vimalan , I.Vetha Potheher","doi":"10.1016/j.jcrysgro.2025.128274","DOIUrl":"10.1016/j.jcrysgro.2025.128274","url":null,"abstract":"<div><div>The Ammonium chloride (NH<sub>4</sub>Cl) has dendritic growth habit. The dendritic growth habit of NH<sub>4</sub>Cl was suppressed in the presence of urea. The single crystals with uniform dimensions were harvested using solution growth method by the slow evaporation. The single crystal XRD analysis of urea added NH<sub>4</sub>Cl confirms the cubic crystal system and the lattice constant was found to be a = b = c = 3.877 Å and axial angle is α = β = γ = 90°. Purity of the grown crystal in the crystalline phase is shown by the powder XRD. No variation in cell parameter and crystal structure is observed from the results obtained from both single crystal and powder XRD. The presence of functional groups and vibration were confirmed using Fourier transform infrared spectroscopy. UV–Vis-NIR spectrum revealed the transparency of the grown crystal is 85 % and the obtained optical band gap energy of the grown crystal is 3.42 eV. The obtained SHG efficiency from the Kurtz and Perry powder technique is two times higher than KDP crystal. The broad emission from photoluminescence spectrum at 373 nm indicates that, the grown crystal possesses potential for the manufacture of light emitting diodes. The Thermal property of urea added with NH<sub>4</sub>Cl molecule shows eutectic melting point at 275 °C. The work hardening coefficient of the grown crystal obtained from microhardness analysis is 1.77. Dielectric behaviour and <em>ac</em> conductivity of urea added NH<sub>4</sub>Cl single crystal was studied for the different temperature and frequency and it’s lower activation energy was found that 0.00875 eV at applied frequency 1 kHz. The photoconductivity measurement verified that nature of the crystal was positive photoconductive.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"667 ","pages":"Article 128274"},"PeriodicalIF":1.7,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144221947","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}
Yanjie Liu , Yibin Wang , Tianming Yin , Chi Lin , Houzhang Tan , Hariana Hariana
{"title":"CO2 mineralization characteristics of Ca2+-rich leachate from desulfurization gypsum and the regulation of CaCO3 crystal and morphology","authors":"Yanjie Liu , Yibin Wang , Tianming Yin , Chi Lin , Houzhang Tan , Hariana Hariana","doi":"10.1016/j.jcrysgro.2025.128273","DOIUrl":"10.1016/j.jcrysgro.2025.128273","url":null,"abstract":"<div><div>It is very promising that Ca-rich solid wastes could act as calcium source to convert CO<sub>2</sub> from industrials into functional CaCO<sub>3</sub> product via aqueous carbonation reaction. Because of the complexity in chemical components and mineral classifications of solid wastes, there is still a big challenge for any one solid waste that how to obtain highly pure CaCO<sub>3</sub> with a certain crystal form, size and morphology through regulating mineralization process parameters or using inorganic /organic additives. This work aimed to evaluate the potential for indirect CO<sub>2</sub> mineralization of Ca<sup>2+</sup>-rich leachate from desulfurized gypsum (DG) which was produced from wet limestone-gypsum desulfurization system in a coal-fired power plant. The effects of different parameters on Ca<sup>2+</sup> leaching characteristic of gypsum and the CO<sub>2</sub> mineralization behavior of Ca<sup>2+</sup>-rich leachate was investigated in detail, as well as the regulation of three additives and reaction conditions onto crystal form and morphology of CaCO<sub>3</sub> products. The results showed that the leaching efficiency of Ca<sup>2+</sup> from gypsum could reach up to about 46 % at the optimal leaching parameter. Under the optimal operating carbonation parameters, the mineralization efficiency of desulfurized gypsum reached 22 % and the corresponding mineralization capacity was 56.15 kg∙CO<sub>2</sub>/t∙DG. The addition of ethylene glycol and sucrose promoted the formation of vaterite, while the creation of pine-like aragonite was more favored in the presence of magnesium chloride.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"667 ","pages":"Article 128273"},"PeriodicalIF":1.7,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144195658","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}
{"title":"Effects of magnetic intensity and crystal-crucible rotation direction on heat and oxygen transport during continuous Czochralski growth of an 8-inch diameter silicon crystal","authors":"Thi-Hoai-Thu Nguyen , Jyh-Chen Chen , Ting-I Wu","doi":"10.1016/j.jcrysgro.2025.128253","DOIUrl":"10.1016/j.jcrysgro.2025.128253","url":null,"abstract":"<div><div>The effect of variations of temperature, flow, and oxygen distribution on the CCz growth of 8-inch diameter silicon crystals was numerically studied under a cusp magnetic field. As in the Cz growth process, the oxygen concentration at the crystal-melt interface is lower and more homogeneous when using the same rotation direction (<em>iso</em>-rotation) between the crystal and the crucible. In <em>iso</em>-rotation mode, the oxygen atoms released from the quartz wall are mainly transported to the inner free-melt surface by diffusion due to the weak melt speed in the inner melt. The strong outward flow of the melt beneath the growth interface caused by the fast crystal rotation may prevent oxygen diffusion into the ingot and is favorable for enhancing the evaporation of oxygen at the inner free-melt surface. The flow motion in the inner melt is much stronger in counter-rotation mode than in <em>iso</em>-rotation mode. This can alter the oxygen diffusion flux from the quartz wall to directly reach the growth interface. Therefore, the oxygen level along the crystal-melt interface will be higher than in the <em>iso</em>-rotation mode. When the magnetic intensity is high enough, the flow motion in the inner melt in the counter-rotation mode is significantly weakened, resulting in lower oxygen concentration at the growth interface. In <em>iso</em>-rotation mode, there is a significant increase in the effect of the outward melt flow beneath the growth interface as the magnetic field becomes stronger, which causes a notable decrease in the oxygen level.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"667 ","pages":"Article 128253"},"PeriodicalIF":1.7,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144189618","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}