Journal of Crystal Growth最新文献_第3页

Investigation of the effect of heater electrode heat transfer on heat losses in Czochralski silicon crystal growth based on 3D global numerical simulation 基于三维全局数值模拟的加热电极传热对直克拉拉斯基硅晶体生长热损失影响的研究

IF 1.7 4区材料科学

Journal of Crystal Growth Pub Date : 2025-06-25 DOI: 10.1016/j.jcrysgro.2025.128284

Chao Qi, Dengnian Li, Junlan Wang, Zeqi Zhong, Yao Yang, Zaoyang Li, Lijun Liu

引用次数: 0

First principle calculations on structural, mechanical, electronic, magnetic and thermoelectric properties of ZrMnZ half Heusler alloys for spin polarized and Seebeck generator applications 用于自旋极化和塞贝克发生器的ZrMnZ半Heusler合金的结构、机械、电子、磁性和热电性能第一性原理计算

IF 1.7 4区材料科学

Journal of Crystal Growth Pub Date : 2025-06-25 DOI: 10.1016/j.jcrysgro.2025.128286

Klinton Brito K. , Srinivasan M. , Aathi Sankar , Jayanth K.S. , Sanjai Kumar J.

{"title":"First principle calculations on structural, mechanical, electronic, magnetic and thermoelectric properties of ZrMnZ half Heusler alloys for spin polarized and Seebeck generator applications","authors":"Klinton Brito K. , Srinivasan M. , Aathi Sankar , Jayanth K.S. , Sanjai Kumar J.","doi":"10.1016/j.jcrysgro.2025.128286","DOIUrl":"10.1016/j.jcrysgro.2025.128286","url":null,"abstract":"<div><div>In this article we have studied the transport and magnetic properties of novel half Heusler alloys ZrMnZ (Z = In, Bi, Pb) in cubic phase with the help of the Wien2k code. The thermoelectric parameters of the ZrMnZ alloys are studied with the help of the BoltzTrap2 code employed within the Wien2k code. ZrMnZ alloys are found to be ductile and stable. They are ferrimagnetic p-type half-metals with a negative magnetic moment of −4 for ZrMnIn, −3 for ZrMnPb, and −2 for ZrMnBi respectively. They have a band gap in the spin-down channel with band gap energies of 0.6 eV, 0.6 eV, and 0.7 eV for ZrMnIn, ZrMnPb, and ZrMnBi respectively. They have a negative spin magnetic moment of −4 for ZrMnIn, −3 for ZrMnPb, and −2 for ZrMnBi, respectively. The half Heusler alloys ZrMnIn, ZrMnPb, and ZrMnBi gives a maximum thermoelectric figure of merit of 0.38, 0.32, and 0.39 at 1200 K. The similar materials shows a thermoelectric figure of merit of 0.6 for ZrMnIn, 0.53 for ZrMnPb, and 0.64 for ZrMnBi, at 1500 K respectively. Thus, this study suggests that the half-Heulser alloys ZrMnIn, ZrMnPb, and ZrMnBi are potential candidates for the fabrication of Seebeck generators and spin-based devices replacing conventional diodes, flips etc.,</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"668 ","pages":"Article 128286"},"PeriodicalIF":1.7,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144502143","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

Reactive crystallisation kinetics of sodium bicarbonate using sodium sulphate spent salt solutions 用硫酸钠废盐溶液研究碳酸氢钠的反应结晶动力学

IF 1.7 4区材料科学

Journal of Crystal Growth Pub Date : 2025-06-21 DOI: 10.1016/j.jcrysgro.2025.128285

Luyan Wang, Weihua Shen, Yunjin Fang

{"title":"Reactive crystallisation kinetics of sodium bicarbonate using sodium sulphate spent salt solutions","authors":"Luyan Wang, Weihua Shen, Yunjin Fang","doi":"10.1016/j.jcrysgro.2025.128285","DOIUrl":"10.1016/j.jcrysgro.2025.128285","url":null,"abstract":"<div><div>Under China’s “Dual Carbon” strategy, in order to treat sodium sulfate waste brine for environmental protection, an innovative ammonium bicarbonate conversion method was developed. However, the industrialization of the method currently faces a bottleneck in crystallizer design challenges. To provide theoretical basis for the equipment design and industrial operations, this study investigates the continuous crystallization kinetics based on a Mixed Suspension Mixed Product Removal (MSMPR) crystallizer. The kinetic analysis demonstrated: (1) Crystal growth rate follows power-law dependence on supersaturation; (2) Nucleation rate shows dual dependence on growth rate and suspension density. Sodium bicarbonate crystallization is surface reaction-controlled, and the nucleation rate is highly sensitive to changes in the growth rate in Na<sub>2</sub>SO<sub>4</sub>-rich solutions. The suspension density exponent confirms enhanced nucleation with increased crystal load. Additionally, this study innovatively introduces the additive sodium hexametaphosphate into the batch operation, successfully preparing density soda ash, and thereby enhances the economic benefits of the process.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"668 ","pages":"Article 128285"},"PeriodicalIF":1.7,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144364464","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

Local droplet etching with In, Al and InAl in In0.52Al0.48As layers for generation of quantum dots emitting in the optical C-band 用In、Al和InAl在In0.52Al0.48As层中局部刻蚀生成c波段发光量子点

IF 1.7 4区材料科学

Journal of Crystal Growth Pub Date : 2025-06-13 DOI: 10.1016/j.jcrysgro.2025.128247

D. Deutsch , V. Zolatanosha , D. Reuter

{"title":"Local droplet etching with In, Al and InAl in In0.52Al0.48As layers for generation of quantum dots emitting in the optical C-band","authors":"D. Deutsch , V. Zolatanosha , D. Reuter","doi":"10.1016/j.jcrysgro.2025.128247","DOIUrl":"10.1016/j.jcrysgro.2025.128247","url":null,"abstract":"<div><div>We present a detailed study of local droplet etching into In<sub>0.52</sub>Al<sub>0.48</sub>As layers grown lattice matched on InP (100) substrate. We tested droplet etching with Ga, In, Al, InGa and InAl droplets under an As<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> atmosphere. Ga and InGa droplets did not produce proper nanoholes whereas we could produce nanoholes with In, Al, and InAl as etching material. Interestingly we found that the process required an additional overgrowth step when In is involved in combination with As<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> to prevent nanohole collapse after formation. We also optimized nanohole etching for symmetric QD fabrication when employing InAl as droplet material by investigating the influence of As<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> pressure and etching material amount under a fixed etching temperature of 435°C. By doing this we found that 2 × 10<sup>-7</sup>     mbar of As<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> flux and 1.4ML droplet deposition.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"668 ","pages":"Article 128247"},"PeriodicalIF":1.7,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144321704","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 SiC single crystal growth via numerical simulation: Enhanced mass transport with graphite ring and block design 通过数值模拟优化SiC单晶生长：石墨环和石墨块设计增强质量传递

IF 1.7 4区材料科学

Journal of Crystal Growth Pub Date : 2025-06-10 DOI: 10.1016/j.jcrysgro.2025.128283

Chao Zhou , Zhengxuan Lu , Chen Li , Yuanhao Lu , Haochao Li , Lei Dong , Shanming Ke , Shuk-Yin Tong

{"title":"Optimization of SiC single crystal growth via numerical simulation: Enhanced mass transport with graphite ring and block design","authors":"Chao Zhou , Zhengxuan Lu , Chen Li , Yuanhao Lu , Haochao Li , Lei Dong , Shanming Ke , Shuk-Yin Tong","doi":"10.1016/j.jcrysgro.2025.128283","DOIUrl":"10.1016/j.jcrysgro.2025.128283","url":null,"abstract":"<div><div>The silicon carbide (SiC) single crystal, serving as a critical material for high-power and high-temperature semiconductor devices, has consistently encountered the significant challenge of balancing growth rate with crystal quality during its fabrication process. This study employs finite element analysis within the STR Virtual Reactor simulation environment to examine the impact of optimizing the crucible’s internal structure through the introduction of a graphite ring and graphite blocks on mass transport and crystal quality. Simulation results demonstrate that the graphite ring can effectively suppress the recrystallization phenomenon on the surface of SiC raw powders, optimize gas-phase transport pathways, and consequently reduce the formation of carbon inclusions and defects. Although the graphite ring slightly decreases the growth rate, the incorporation of a cylindrical graphite block compensates for this reduction by enhancing thermal flux and thereby accelerating the growth process. The combined application of these two structural designs effectively optimizes mass transport while maintaining the growth rate, offering new insights into crucible design optimization and providing a novel technical approach for the large-scale production of high-quality SiC single crystals.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"668 ","pages":"Article 128283"},"PeriodicalIF":1.7,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144271718","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

Effect of water-cooled jacket emissivity on the melt-crystal interface and oxygen in the Czochralski silicon crystal growth 水冷套发射率对直克拉拉斯基硅晶体生长中熔晶界面和氧的影响

IF 1.7 4区材料科学

Journal of Crystal Growth Pub Date : 2025-06-06 DOI: 10.1016/j.jcrysgro.2025.128282

Zeqi Zhong, Jiancheng Li, Chao Qi, Dengnian Li, Zaoyang Li, Lijun Liu

{"title":"Effect of water-cooled jacket emissivity on the melt-crystal interface and oxygen in the Czochralski silicon crystal growth","authors":"Zeqi Zhong, Jiancheng Li, Chao Qi, Dengnian Li, Zaoyang Li, Lijun Liu","doi":"10.1016/j.jcrysgro.2025.128282","DOIUrl":"10.1016/j.jcrysgro.2025.128282","url":null,"abstract":"<div><div>In the process of monocrystalline silicon growth by Czochralski method, water-cooled jacket has gradually become an important component widely used in the industry to increase the crystal pulling rate. Although increasing the emissivity of the crystal and the heat shield side of the water-cooled jacket can further increase the pulling rate, it will change the flow, heat transfer, melt-crystal interface deformation and oxygen transport, which affects the stable growth and the oxygen content of the silicon crystal. In this study, a global 2D numerical model was established to study the effect of the emissivity of the water-cooled jacket on flow, heat transfer, the deflection and oxygen content of melt-crystal interface. The results show that increasing the emissivity of the crystal side of the water-cooled jacket and reducing the emissivity of the heat shield side can achieve simultaneous control of the deflection and oxygen content of melt-crystal interface. This study provides a theoretical reference for optimizing the water-cooled jacket to achieve a stable low-oxygen growth of silicon crystal.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"667 ","pages":"Article 128282"},"PeriodicalIF":1.7,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144255072","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

Surface mound formation and growth via step destabilization under a direct current electric field on (001) strontium titanate single crystals （001）钛酸锶单晶在直流电场下通过阶进失稳形成和生长

IF 1.7 4区材料科学

Journal of Crystal Growth Pub Date : 2025-06-06 DOI: 10.1016/j.jcrysgro.2025.128281

Yutaro Katsuyama, Shunta Inagaki, Tomoharu Tokunaga, Takahisa Yamamoto

{"title":"Surface mound formation and growth via step destabilization under a direct current electric field on (001) strontium titanate single crystals","authors":"Yutaro Katsuyama, Shunta Inagaki, Tomoharu Tokunaga, Takahisa Yamamoto","doi":"10.1016/j.jcrysgro.2025.128281","DOIUrl":"10.1016/j.jcrysgro.2025.128281","url":null,"abstract":"<div><div>The specific heat-treatment conditions are crucial for facilitating surface-diffusion processes that lead to the reconstruction of surface structures in oxide single crystals. This reconstruction gives rise to a step-terrace structure, which is characterized by steps with heights equivalent to the unit cell and atomically flat terraces. A method using a power spike (i.e., a flash event) generated under an applied electric field above the threshold value has emerged as a promising approach for promoting such surface reconstruction. In this study, we performed Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM) to examine the (001) surface structure of a strontium titanate single crystal treated with a flash event induced by a Direct Current (DC) electric field. We observed the formation of a step-terrace structure on the (001) surface even with a short holding time of 1 min under the flash event (initial voltage of 300 V/cm at a limiting current of 35 mA). However, a surface mound with a height of approximately 5.5 nm also formed on the surface, the height of which increased with holding time. SEM and AFM observations of the same surface location revealed that the formation of the surface mound is due to the formation of anti-bands as well as the bunching of surface steps, which is caused by their destabilization under the DC electric field. To avoid the formation of surface mounds, we suggest using an alternating electric field to trigger the flash event, which does not destabilize the steps.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"667 ","pages":"Article 128281"},"PeriodicalIF":1.7,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144240920","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

Engineering 2D surface patterns with the VicCa model 工程二维表面图案与VicCa模型

IF 1.7 4区材料科学

Journal of Crystal Growth Pub Date : 2025-06-05 DOI: 10.1016/j.jcrysgro.2025.128245

Marta A. Chabowska, Magdalena A. Załuska-Kotur

引用次数: 0

An assessment of germane and tin tetrachloride for GeSn epitaxy 锗和四氯化锡用于GeSn外延的评价

IF 1.7 4区材料科学

Journal of Crystal Growth Pub Date : 2025-06-05 DOI: 10.1016/j.jcrysgro.2025.128280

J.M. Hartmann, T. Marion

{"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}

引用次数: 0

Effect of inner crucible structure on oxygen transport and distribution in the continuous-feeding Czochralski growth of silicon crystal 内坩埚结构对硅晶体连续进料直拉生长中氧输运和分布的影响

IF 1.7 4区材料科学

Journal of Crystal Growth Pub Date : 2025-06-04 DOI: 10.1016/j.jcrysgro.2025.128278

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}

引用次数: 0