The demand for high-resistivity monocrystalline silicon for power semiconductor devices is steadily increasing, driven by the transition to 300 mm wafers. While the Magnetic Czochralski (MCZ) process allows scaling to larger diameters, the Float Zone (FZ) method remains preferable due to superior purity but faces two key obstacles: the lack of sufficiently pure feed rods of 250–300 mm diameter and difficulties in sustaining stable crystal growth at these scales. In this work, we investigate electron-beam melting as a route to produce high-purity polycrystalline feed rods for the FZ process. Laboratory experiments identified aluminium as the most persistent contaminant introduced by the electron beam system. Monte Carlo modelling of aluminium ion trajectories was performed to estimate the efficiency of the bent-tube separator in reducing impurity transport. We demonstrate that a combination of a gas-dynamic window, chamber surface protection, and a bent-tube separator reduces the aluminium concentration by two orders of magnitude, down to below 5 × 1012 at·cm−3, while maintaining low oxygen levels (<0.1 ppma). These results, obtained on pilot-scale equipment, provide a pathway toward the production of 300 mm FZ feed rods and indicate that one of the major obstacles to large-diameter FZ crystal growth can be overcome.
{"title":"Reduction of aluminium contamination in electron-beam melting of feed rods for 300 mm FZ silicon crystal growth","authors":"Anatoly Kravtsov , Armands Krauze , Janis Virbulis , George Chikvaidze","doi":"10.1016/j.jcrysgro.2025.128390","DOIUrl":"10.1016/j.jcrysgro.2025.128390","url":null,"abstract":"<div><div>The demand for high-resistivity monocrystalline silicon for power semiconductor devices is steadily increasing, driven by the transition to 300 mm wafers. While the Magnetic Czochralski (MCZ) process allows scaling to larger diameters, the Float Zone (FZ) method remains preferable due to superior purity but faces two key obstacles: the lack of sufficiently pure feed rods of 250–300 mm diameter and difficulties in sustaining stable crystal growth at these scales. In this work, we investigate electron-beam melting as a route to produce high-purity polycrystalline feed rods for the FZ process. Laboratory experiments identified aluminium as the most persistent contaminant introduced by the electron beam system. Monte Carlo modelling of aluminium ion trajectories was performed to estimate the efficiency of the bent-tube separator in reducing impurity transport. We demonstrate that a combination of a gas-dynamic window, chamber surface protection, and a bent-tube separator reduces the aluminium concentration by two orders of magnitude, down to below 5 × 10<sup>12</sup> at·cm<sup>−3</sup>, while maintaining low oxygen levels (<0.1 ppma). These results, obtained on pilot-scale equipment, provide a pathway toward the production of 300 mm FZ feed rods and indicate that one of the major obstacles to large-diameter FZ crystal growth can be overcome.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"673 ","pages":"Article 128390"},"PeriodicalIF":2.0,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145464655","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}
The IR transmission behavior of Cd1-xZnxTe (CZT) slices can provide useful information about inclusion/precipitate feature, stoichiometry and free carriers. High infrared (IR) transmittance is essential for the application of CZT in infrared focal plane arrays (IRFPA). The IR transmittance features of the CZT slices with different surface states are analyzed, and the indicator T625 is used to assess whether the slices should be annealed or not. The preprocessed CZT slices with rough surfaces and T625 < 45 % are annealed under Cd-saturated atmosphere, and results demonstrate that IR transmittance improvement is insignificant either by increasing annealing time or temperature. Furthermore, the (111) Cd and (111) Te surfaces are respectively ground (to obtain smooth surfaces) and annealed. The result shows the IR transmittance improvement of slices ground on (111) Cd surface is more obvious compared with slices ground on (111) Te surface. Density functional theory (DFT) calculations were also employed to investigate the reaction mechanism between molecular oxygen and CdTe, and the theoretical calculation results indicate that (111) Te surface is more easily oxidized than (111) Cd surface. The experimental and theoretical results demonstrate the presence of oxidation layer can account for the ineffective IR transmittance improvement. Additionally, a cost-effective CZT substrate processing is proposed in this study.
{"title":"Enhanced IR transmittance of CZT substrates: Surface processing and Cd-saturated annealing","authors":"Shangshu Li , Xiaolu Xiong , Chao Xu , Changhe Zhou","doi":"10.1016/j.jcrysgro.2025.128395","DOIUrl":"10.1016/j.jcrysgro.2025.128395","url":null,"abstract":"<div><div>The IR transmission behavior of Cd<sub>1-</sub><em><sub>x</sub></em>Zn<em><sub>x</sub></em>Te (CZT) slices can provide useful information about inclusion/precipitate feature, stoichiometry and free carriers. High infrared (IR) transmittance is essential for the application of CZT in infrared focal plane arrays (IRFPA). The IR transmittance features of the CZT slices with different surface states are analyzed, and the indicator T<sub>625</sub> is used to assess whether the slices should be annealed or not. The preprocessed CZT slices with rough surfaces and T<sub>625</sub> < 45 % are annealed under Cd-saturated atmosphere, and results demonstrate that IR transmittance improvement is insignificant either by increasing annealing time or temperature. Furthermore, the (111) Cd and (111) Te surfaces are respectively ground (to obtain smooth surfaces) and annealed. The result shows the IR transmittance improvement of slices ground on (111) Cd surface is more obvious compared with slices ground on (111) Te surface. Density functional theory (DFT) calculations were also employed to investigate the reaction mechanism between molecular oxygen and CdTe, and the theoretical calculation results indicate that (111) Te surface is more easily oxidized than (111) Cd surface. The experimental and theoretical results demonstrate the presence of oxidation layer can account for the ineffective IR transmittance improvement. Additionally, a cost-effective CZT substrate processing is proposed in this study.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"673 ","pages":"Article 128395"},"PeriodicalIF":2.0,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145464598","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}
Pub Date : 2026-01-01Epub Date: 2025-10-30DOI: 10.1016/j.jcrysgro.2025.128388
Sonia Blel
In this paper we explore the growth mechanisms of Al and Pd NWs on Cu(100) substrate with a kinetic Monte Carlo simulations (KMC) model including the Ehrlich-Schwoebel (ES) barrier and inverse (iES) at the step-edges for the first time. For Al NWs, our simulations show that increase of the deposition flux leads to considerable reduction of the quality of NWs and to weaker dependence of the filling ratio on the growth temperature T. The dependences of the filling ratio on the temperature T, the deposition flux F and terrace width L are discussed in detail. This filling ratio depends not only on three parameters (T, F, L), but also on the energetic barrier ().The high quality of NWs can be obtained for growth temperature estimated to 450 K (F = 0.001 ML/s), 525 K (F = 0.05 ML/s), 550 K (F = 0.05 ML/s, 1 ML/s) for each flux and at low terrace width and ES barrier. However, for Pd NWs, we have focused on the effect of the energetic barriers (ES barrier and iES barrier) on the quality of NWs, which have been used as adjustable parameter in our model. Our simulations results show that these NWs are formed at the lower step-edge of surface. We discussed how the magnitude of these barriers affects the filling rate and the uniformity of NWs. We also assessed the effect of the terrace width on the quality of NWs. The maximum filling ratio of NWs can be obtained for a terrace width and at higher temperatures .
本文首次采用动力学蒙特卡罗模拟（KMC）模型，研究了Al和Pd NWs在Cu（100）衬底上的生长机理，其中包括台阶边缘的Ehrlich-Schwoebel势垒和逆势垒。对Al - NWs的模拟结果表明，随着沉积通量的增加，NWs的质量明显降低，充填率对生长温度T的依赖性减弱，并详细讨论了充填率对温度T、沉积通量F和阶地宽度L的依赖性。这种填充率不仅取决于三个参数（T、F、L），还取决于能垒（EES）。在低阶地宽度和ES屏障条件下，每个通量的生长温度分别为450 K （F = 0.001 ML/s）、525 K （F = 0.05 ML/s）、550 K (F = 0.05 ML/s、1 ML/s)，可获得高质量的NWs。然而，对于Pd - NWs，我们关注的是能量势垒（ES势垒和iES势垒）对NWs质量的影响，并将其作为模型中的可调参数。模拟结果表明，这些NWs主要形成于地表的下台阶边缘。我们讨论了这些障碍的大小如何影响NWs的填充率和均匀性。我们还评估了梯田宽度对西北湿地质量的影响。当梯田宽度L≤10a，较高温度T≥300K时，NWs填充比最大。
{"title":"Theoretical study of the Al and Pd nanowires on Cu(100) stepped surfaces: the role of atomistic mechanisms","authors":"Sonia Blel","doi":"10.1016/j.jcrysgro.2025.128388","DOIUrl":"10.1016/j.jcrysgro.2025.128388","url":null,"abstract":"<div><div>In this paper we explore the growth mechanisms of Al and Pd NWs on Cu(100) substrate with a kinetic Monte Carlo simulations (KMC) model including the Ehrlich-Schwoebel (ES) barrier and inverse (iES) at the step-edges for the first time. For Al NWs, our simulations show that increase of the deposition flux leads to considerable reduction of the quality of NWs and to weaker dependence of the filling ratio on the growth temperature <em>T</em>. The dependences of the filling ratio on the temperature <em>T</em>, the deposition flux <em>F</em> and terrace width <em>L</em> are discussed in detail. This filling ratio depends not only on three parameters (<em>T, F, L</em>), but also on the energetic barrier (<span><math><msub><mi>E</mi><mrow><mi>ES</mi></mrow></msub></math></span>).The high quality of NWs can be obtained for growth temperature estimated to 450 K (<em>F</em> = 0.001 ML/s), 525 K (<em>F</em> = 0.05 ML/s), 550 K (<em>F</em> = 0.05 ML/s, 1 ML/s) for each flux and at low terrace width and ES barrier. However, for Pd NWs, we have focused on the effect of the energetic barriers (ES barrier and iES barrier) on the quality of NWs, which have been used as adjustable parameter in our model. Our simulations results show that these NWs are formed at the lower step-edge of surface. We discussed how the magnitude of these barriers affects the filling rate and the uniformity of NWs. We also assessed the effect of the terrace width on the quality of NWs. The maximum filling ratio of NWs can be obtained for a terrace width <span><math><mrow><mi>L</mi><mo>≤</mo><mn>10</mn><mi>a</mi></mrow></math></span> and at higher temperatures <span><math><mrow><mi>T</mi><mo>≥</mo><mn>300</mn><mi>K</mi></mrow></math></span>.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"673 ","pages":"Article 128388"},"PeriodicalIF":2.0,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145415364","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}
Pub Date : 2026-01-01Epub Date: 2025-10-30DOI: 10.1016/j.jcrysgro.2025.128378
Keshra Sangwal , Ewa Mielniczek-Brzóska , Wiesław Z. Polak
Crystallization behavior of Li2CO3 in aqueous LiCl solution of a constant concentration cA by feeding aqueous Na2CO3 solution of predefined concentration cB at controlled constant rate RB by in situ measurements of laser-beam intensity I transmitted through the solution is investigated at 30 °C using an indigenously designed experimental arrangement. It was observed that: (1) the normalized transmitted light intensity In of 3.20 mol/L LiCl solution with the time t of feeding 1.037 mol/L Na2CO3 solution at different rates RB decreases up to feeding time tm, followed by subsequent decrease in In beyond tm with increasing t without feeding Na2CO3 solution, and (2) the decrease in the intensity In with the feeding duration t of Na2CO3 solution at different RB initially up to tm is slow, but later even without feeding the Na2CO3 solution, after following a convex curvature down to In equal to about 0.7, the intensity decreases with increasing time t and finally approaches zero. The experimental results are discussed from consideration of creation of supersaturation lnSm for the occurrence of three-dimensional (3D) nucleation using chemical reactions and subsequent evolution of crystallized mass m of Li2CO3 with time t following Avrami-type dependence. It was found that the feeding rate RB of Na2CO3 solution to LiCl solution determines the rate of creation of a particular mass of Li2CO3 solute corresponding to the maximum supersaturation lnSm for the occurrence of 3D nucleation and the subsequent crystallization of Li2CO3 solute due to lnSm.
{"title":"Crystallization behavior of lithium carbonate during controlled addition of reactants: Transmitted laser-light intensity measurements","authors":"Keshra Sangwal , Ewa Mielniczek-Brzóska , Wiesław Z. Polak","doi":"10.1016/j.jcrysgro.2025.128378","DOIUrl":"10.1016/j.jcrysgro.2025.128378","url":null,"abstract":"<div><div>Crystallization behavior of Li<sub>2</sub>CO<sub>3</sub> in aqueous LiCl solution of a constant concentration <em>c</em><sub>A</sub> by feeding aqueous Na<sub>2</sub>CO<sub>3</sub> solution of predefined concentration <em>c</em><sub>B</sub> at controlled constant rate <em>R</em><sub>B</sub> by <em>in situ</em> measurements of laser-beam intensity <em>I</em> transmitted through the solution is investigated at 30 °C using an indigenously designed experimental arrangement. It was observed that: (1) the normalized transmitted light intensity <em>I</em><sub>n</sub> of 3.20 mol/L LiCl solution with the time <em>t</em> of feeding 1.037 mol/L Na<sub>2</sub>CO<sub>3</sub> solution at different rates <em>R</em><sub>B</sub> decreases up to feeding time <em>t</em><sub>m</sub>, followed by subsequent decrease in <em>I</em><sub>n</sub> beyond <em>t</em><sub>m</sub> with increasing <em>t</em> without feeding Na<sub>2</sub>CO<sub>3</sub> solution, and (2) the decrease in the intensity <em>I</em><sub>n</sub> with the feeding duration <em>t</em> of Na<sub>2</sub>CO<sub>3</sub> solution at different <em>R</em><sub>B</sub> initially up to <em>t</em><sub>m</sub> is slow, but later even without feeding the Na<sub>2</sub>CO<sub>3</sub> solution, after following a convex curvature down to <em>I</em><sub>n</sub> equal to about 0.7, the intensity decreases with increasing time <em>t</em> and finally approaches zero. The experimental results are discussed from consideration of creation of supersaturation ln<em>S</em><sub>m</sub> for the occurrence of three-dimensional (3D) nucleation using chemical reactions and subsequent evolution of crystallized mass <em>m</em> of Li<sub>2</sub>CO<sub>3</sub> with time <em>t</em> following Avrami-type dependence. It was found that the feeding rate <em>R</em><sub>B</sub> of Na<sub>2</sub>CO<sub>3</sub> solution to LiCl solution determines the rate of creation of a particular mass of Li<sub>2</sub>CO<sub>3</sub> solute corresponding to the maximum supersaturation ln<em>S</em><sub>m</sub> for the occurrence of 3D nucleation and the subsequent crystallization of Li<sub>2</sub>CO<sub>3</sub> solute due to ln<em>S</em><sub>m</sub>.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"673 ","pages":"Article 128378"},"PeriodicalIF":2.0,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145464602","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}
Pub Date : 2026-01-01Epub Date: 2025-11-07DOI: 10.1016/j.jcrysgro.2025.128407
Henry Chen , Susan Kutcher , Cory Rosemier , Julie Wen , Sudhir Trivedi
Although cadmium zinc telluride (CZT) is currently the material of choice for high resolution room temperature nuclear radiation detection, it has several drawbacks, making it very difficult to produce in large volumes and at low cost simultaneously. In this work, we introduce cadmium magnesium telluride (CdMgTe) as a promising alternative room temperature semiconductor detector that solves these issues. The advantages of CdMgTe over CZT, the growth, material characterization of CdMgTe, and ultimately its nuclear radiation response are studied and reported here, where energy resolution of single channel form was as good as 1.5 % at 662 keV gamma without any signal correction.
{"title":"Crystal growth and spectroscopic performance of CdMgTe radiation detector","authors":"Henry Chen , Susan Kutcher , Cory Rosemier , Julie Wen , Sudhir Trivedi","doi":"10.1016/j.jcrysgro.2025.128407","DOIUrl":"10.1016/j.jcrysgro.2025.128407","url":null,"abstract":"<div><div>Although cadmium zinc telluride (CZT) is currently the material of choice for high resolution room temperature nuclear radiation detection, it has several drawbacks, making it very difficult to produce in large volumes and at low cost simultaneously. In this work, we introduce cadmium magnesium telluride (CdMgTe) as a promising alternative room temperature semiconductor detector that solves these issues. The advantages of CdMgTe over CZT, the growth, material characterization of CdMgTe, and ultimately its nuclear radiation response are studied and reported here, where energy resolution of single channel form was as good as 1.5 % at 662 keV gamma without any signal correction.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"673 ","pages":"Article 128407"},"PeriodicalIF":2.0,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518525","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}
Pub Date : 2026-01-01Epub Date: 2025-10-30DOI: 10.1016/j.jcrysgro.2025.128392
Zhou Xu, Lu Qian, Shufan Wu, Qin Wang, Qintao Hu, Shangke Pan, Jianguo Pan
Single crystals of all-inorganic halide perovskites CsPbX3 (X = I-, Br-, and Cl-) possess excellent optoelectronic properties and are considered as promising candidates for the next-generation photodetector materials. Much research has devoted to the growth, scintillation and photoelectrical properties of pure CsPbCl3 crystal. In this study, we successfully grew a series of Li+ doping CsPbCl3 crystals using the Vertical Bridgman method. The crystal structure, luminescence and photoelectrical properties of Cs1−xLixPbCl3 single crystals were systematically investigated. The experimental results reveal that increasing the Li+ doping concentration leads to a blue shift in the emission peak in X-ray induced luminescence spectra. The maximum emission intensity, approximately 17 times higher than that of pure CsPbCl3, was achieved with 3 % Li+ doping, accompanied by a photoluminescence decay time of 0.29 ns. Additionally, the resistivity increased from 4.34 × 107 Ω·cm in CsPbCl3 to 7.68 × 107 Ω·cm in Cs0.99Li0.01PbCl3, while the carrier mobility improved from 19.20 cm2·V−1 s−1 to 22.72 cm2·V−1 s−1, indicating enhanced electrical properties. This study presents a feasible approach for investigating the luminescence properties of CsPbCl3 crystals and their potential application in ultraviolet detection.
{"title":"Growth, luminescence and photoelectrical properties of Cs1−xLixPbCl3 (0 ≤ x < 1) single crystals","authors":"Zhou Xu, Lu Qian, Shufan Wu, Qin Wang, Qintao Hu, Shangke Pan, Jianguo Pan","doi":"10.1016/j.jcrysgro.2025.128392","DOIUrl":"10.1016/j.jcrysgro.2025.128392","url":null,"abstract":"<div><div>Single crystals of all-inorganic halide perovskites CsPbX<sub>3</sub> (X = I<strong><sup>-</sup></strong>, Br<strong><sup>-</sup></strong>, and Cl<strong><sup>-</sup></strong>) possess excellent optoelectronic properties and are considered as promising candidates for the next-generation photodetector materials. Much research has devoted to the growth, scintillation and photoelectrical properties of pure CsPbCl<sub>3</sub> crystal. In this study, we successfully grew a series of Li<sup>+</sup> doping CsPbCl<sub>3</sub> crystals using the Vertical Bridgman method. The crystal structure, luminescence and photoelectrical properties of Cs<sub>1−x</sub>Li<sub>x</sub>PbCl<sub>3</sub> single crystals were systematically investigated. The experimental results reveal that increasing the Li<sup>+</sup> doping concentration leads to a blue shift in the emission peak in X-ray induced luminescence spectra. The maximum emission intensity, approximately 17 times higher than that of pure CsPbCl<sub>3</sub>, was achieved with 3 % Li<sup>+</sup> doping, accompanied by a photoluminescence decay time of 0.29 ns. Additionally, the resistivity increased from 4.34 × 10<sup>7</sup> Ω·cm in CsPbCl<sub>3</sub> to 7.68 × 10<sup>7</sup> Ω·cm in Cs<sub>0.99</sub>Li<sub>0.01</sub>PbCl<sub>3</sub>, while the carrier mobility improved from 19.20 cm<sup>2</sup>·V<sup>−1</sup> s<sup>−1</sup> to 22.72 cm<sup>2</sup>·V<sup>−1</sup> s<sup>−1</sup>, indicating enhanced electrical properties. This study presents a feasible approach for investigating the luminescence properties of CsPbCl<sub>3</sub> crystals and their potential application in ultraviolet detection.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"673 ","pages":"Article 128392"},"PeriodicalIF":2.0,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145464600","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}
Pub Date : 2026-01-01Epub Date: 2025-11-01DOI: 10.1016/j.jcrysgro.2025.128396
Jiaxin Li , Xunqing Yin , Mengjia Wang , Saiqun Ma , Bo Zhang , Sheng Huang , Feng Liu , Pengfei Jiao , Guohua Wang , Dong Qian
Growth of Ruddlesden-Popper phase LaxSryFe2O7-δ single crystalline thin films on SrTiO3(001) was carried out using pulsed laser deposition (PLD) and investigated by in situ reflection high-energy electron diffraction (RHEED), ex situ X-ray diffraction (XRD) and transmission electron microscope (TEM). The results show that the films can grow epitaxially in a two-dimensional mode at 850℃, with a surface roughness of ∼ 0.1 nm for 30-nm thick films. The film composition was determined to be La0.83Sr1.95Fe2O7-δ by energy dispersive x-ray spectroscopy (EDS) mapping. Electrical transport measurements revealed that the La0.83Sr1.95Fe2O7-δ/STO(001) film has an activation energy of ∼ 0.16 eV. Additionally, freestanding 40-nm La0.83Sr1.95Fe2O7-δ/1.2-nm STO films were obtained using Sr3Al2O6 as a sacrificial layer. PACS: 68.37.-d, 68.55.-a, 81.15.Fg.
{"title":"Growth and structure of La-doped Sr3Fe2O7 thin films on SrTiO3(001) by pulsed laser deposition","authors":"Jiaxin Li , Xunqing Yin , Mengjia Wang , Saiqun Ma , Bo Zhang , Sheng Huang , Feng Liu , Pengfei Jiao , Guohua Wang , Dong Qian","doi":"10.1016/j.jcrysgro.2025.128396","DOIUrl":"10.1016/j.jcrysgro.2025.128396","url":null,"abstract":"<div><div>Growth of Ruddlesden-Popper phase La<sub>x</sub>Sr<sub>y</sub>Fe<sub>2</sub>O<sub>7</sub><em><sub>-</sub></em><sub>δ</sub> single crystalline thin films on SrTiO<sub>3</sub>(001) was carried out using pulsed laser deposition (PLD) and investigated by in situ reflection high-energy electron diffraction (RHEED), ex situ X-ray diffraction (XRD) and transmission electron microscope (TEM). The results show that the films can grow epitaxially in a two-dimensional mode at 850℃, with a surface roughness of ∼ 0.1 nm for 30-nm thick films. The film composition was determined to be La<sub>0.83</sub>Sr<sub>1.95</sub>Fe<sub>2</sub>O<sub>7</sub><em><sub>-</sub></em><sub>δ</sub> by energy dispersive x-ray spectroscopy (EDS) mapping. Electrical transport measurements revealed that the La<sub>0.83</sub>Sr<sub>1.95</sub>Fe<sub>2</sub>O<sub>7</sub><em><sub>-</sub></em><sub>δ</sub>/STO(001) film has an activation energy of ∼ 0.16 eV. Additionally, freestanding 40-nm La<sub>0.83</sub>Sr<sub>1.95</sub>Fe<sub>2</sub>O<sub>7</sub><em><sub>-</sub></em><sub>δ</sub>/1.2-nm STO films were obtained using Sr<sub>3</sub>Al<sub>2</sub>O<sub>6</sub> as a sacrificial layer. <em>PACS:</em> 68.37.-d, 68.55.-a, 81.15.Fg.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"673 ","pages":"Article 128396"},"PeriodicalIF":2.0,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145464599","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}
Solid-solution formation and their melting in the Ca3Y2(BO3)4 − Ca3Yb2(BO3)4 system were studied. Powder X-ray diffraction confirmed continuous, congruently melting solid solutions for x ≤ 1.6. A Ca3YYb(BO3)4 single crystal grown by the Czochralski method partially decomposed upon cooling in the 600‑900 C range with the formation of the oxyborate phase CaY1-xYbx(BO3)O. This effect is linked to cation redistribution between the M2 and M3 sites. In contrast, phase-pure Ca3YYb(BO3)4 crystal blocks were obtained for the first time by spontaneous crystallization from the melt. The refined unit cell parameters are a = 7.130 ± 0.001 Å, b = 15.253 ± 0.005 Å, c = 8.609 ± 0.005 Å. The absorption spectrum of the crystal consisted of a broad (200–400 nm) charge-transfer band and Stark-split lines at 900–1050 nm assigned to the 2F7/2 → 2F5/2 transitions of Yb3+ ion. A dependence of mechanical properties of the crystals on an ionic rare-earth radius was studied and discussed. A nonlinear decrease of Vickers hardness of (100) plane for Ca3YYb(BO3)4 and Ca3RE2(BO3)4 (RE-Y, Gd, Nd) crystals at a practically linear increase of the unit cell volume was observed at increase of an ionic radius of RE cation. Such behavior is due to SOFRE increase for M1 and M2 sites and decrease one for M3 site.
研究了Ca3Y2(BO3)4 - Ca3Yb2(BO3)4体系中固溶体的形成及其熔融过程。粉末x射线衍射证实x≤1.6时固溶体连续、均匀熔化。用Czochralski法生长的Ca3YYb(BO3)4单晶在600 ~ 900℃范围内冷却后部分分解，形成氧硼酸相CaY1-xYbx(BO3)O。这种效应与M2和M3位点之间的阳离子再分配有关。通过熔体自发结晶，首次获得了相纯的Ca3YYb(BO3)4晶体块。精化后的单胞参数为a = 7.130±0.001 Å， b = 15.253±0.005 Å， c = 8.609±0.005 Å。晶体的吸收光谱由宽（200 ~ 400 nm）的电荷转移带和900 ~ 1050 nm的stark分裂谱线组成，这些谱线属于Yb3+离子的2F7/2→2F5/2跃迁。研究并讨论了离子稀土半径对晶体力学性能的影响。随着稀土离子半径的增大，Ca3YYb(BO3)4和Ca3RE2(BO3)4 （RE- y, Gd, Nd）晶体的（100）面维氏硬度呈非线性下降，而晶胞体积几乎呈线性增加。这种行为是由于M1和M2位点的SOFRE增加，M3位点的SOFRE减少。
{"title":"Peculiarities of Ca3YYb(BO3)4 single crystal growth and its characterization","authors":"V.N. Baumer , J.Z. Domagala , M.B. Kosmyna , W. Paszkowicz , A.N. Shaposhnyk , A.N. Shekhovtsov","doi":"10.1016/j.jcrysgro.2025.128391","DOIUrl":"10.1016/j.jcrysgro.2025.128391","url":null,"abstract":"<div><div>Solid-solution formation and their melting in the Ca<sub>3</sub>Y<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub> − Ca<sub>3</sub>Yb<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub> system were studied. Powder X-ray diffraction confirmed continuous, congruently melting solid solutions for x ≤ 1.6. A Ca<sub>3</sub>YYb(BO<sub>3</sub>)<sub>4</sub> single crystal grown by the Czochralski method partially decomposed upon cooling in the 600‑900<!--> <!-->C range with the formation of the oxyborate phase CaY<sub>1-x</sub>Yb<sub>x</sub>(BO<sub>3</sub>)O. This effect is linked to cation redistribution between the M2 and M3 sites. In contrast, phase-pure Ca<sub>3</sub>YYb(BO<sub>3</sub>)<sub>4</sub> crystal blocks were obtained for the first time by spontaneous crystallization from the melt. The refined unit cell parameters are a = 7.130 ± 0.001 Å, b = 15.253 ± 0.005 Å, c = 8.609 ± 0.005 Å. The absorption spectrum of the crystal consisted of a broad (200–400 nm) charge-transfer band and Stark-split lines at 900–1050 nm assigned to the <sup>2</sup>F7/2 → <sup>2</sup>F5/2 transitions of Yb<sup>3+</sup> ion. A dependence of mechanical properties of the crystals on an ionic rare-earth radius was studied and discussed. A nonlinear decrease of Vickers hardness of (100) plane for Ca<sub>3</sub>YYb(BO<sub>3</sub>)<sub>4</sub> and Ca<sub>3</sub>RE<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub> (RE-Y, Gd, Nd) crystals at a practically linear increase of the unit cell volume was observed at increase of an ionic radius of RE cation. Such behavior is due to SOF<sub>RE</sub> increase for M1 and M2 sites and decrease one for M3 site.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"673 ","pages":"Article 128391"},"PeriodicalIF":2.0,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145415413","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}
Pub Date : 2025-12-15Epub Date: 2025-10-22DOI: 10.1016/j.jcrysgro.2025.128376
Ning Zhang , Jonah M. Williams , Joe Oliva , Richard Becker , Aaron J. Moment
This study introduces complementary insights into in-situ observation of calcium carbonate (CaCO3) nucleation and polymorph transformation within liquid phases, employing an integrated system of Raman spectroscopy and optical microscopy imaging. This system provides insights into the process of different CaCO3 phases and their formation/transformation. The effects of different operational conditions including temperature, pH, reactant concentrations, and addition rates were investigated. Understanding is still lacking regarding the dynamic processes of the polymorphic transformations of CaCO3 in bulk solution systems with agitation, specifically the transition from the initial unstable form of amorphous calcium carbonate (ACC) to its more stable crystalline forms. This bulk system is crucial for full-scale process scale-up to produce certain properties of carbonates in various industries. The application of the Blaze Metrics probe Raman collection, integrated with a Raman spectrometer, allowed for real-time monitoring of phase formation and transformation, providing greater understanding of the kinetics and pathways involved in CaCO3 polymorph transitions. Results revealed that the nucleation and growth processes of CaCO3 are significantly influenced by supersaturation levels, base dosing methods, CO32– source, and the concentration of cations. The transformation starts from amorphous phase, to metastable vaterite and eventually to the most stable calcite under ambient, gas–liquid conditions. However, the metastable phase can be omitted under certain circumstances. Simultaneously, monitoring turbidity changes allows for the detection of dissolution, recrystallization and aggregation. This understanding is insightful for optimizing conditions in industrial processes for CO2 sequestration and the production of specific CaCO3 polymorphs for varied applications.
{"title":"In situ Raman characterization of polymorph evolution during CaCO3 precipitation in a stirred batch reactor","authors":"Ning Zhang , Jonah M. Williams , Joe Oliva , Richard Becker , Aaron J. Moment","doi":"10.1016/j.jcrysgro.2025.128376","DOIUrl":"10.1016/j.jcrysgro.2025.128376","url":null,"abstract":"<div><div>This study introduces complementary insights into in-situ observation of calcium carbonate (CaCO<sub>3</sub>) nucleation and polymorph transformation within liquid phases, employing an integrated system of Raman spectroscopy and optical microscopy imaging. This system provides insights into the process of different CaCO<sub>3</sub> phases and their formation/transformation. The effects of different operational conditions including temperature, pH, reactant concentrations, and addition rates were investigated. Understanding is still lacking regarding the dynamic processes of the polymorphic transformations of CaCO<sub>3</sub> in bulk solution systems with agitation, specifically the transition from the initial unstable form of amorphous calcium carbonate (ACC) to its more stable crystalline forms. This bulk system is crucial for full-scale process scale-up to produce certain properties of carbonates in various industries. The application of the Blaze Metrics probe Raman collection, integrated with a Raman spectrometer, allowed for real-time monitoring of phase formation and transformation, providing greater understanding of the kinetics and pathways involved in CaCO<sub>3</sub> polymorph transitions. Results revealed that the nucleation and growth processes of CaCO<sub>3</sub> are significantly influenced by supersaturation levels, base dosing methods, CO<sub>3</sub><sup>2–</sup> source, and the concentration of cations. The transformation starts from amorphous phase, to metastable vaterite and eventually to the most stable calcite under ambient, gas–liquid conditions. However, the metastable phase can be omitted under certain circumstances. Simultaneously, monitoring turbidity changes allows for the detection of dissolution, recrystallization and aggregation. This understanding is insightful for optimizing conditions in industrial processes for CO<sub>2</sub> sequestration and the production of specific CaCO<sub>3</sub> polymorphs for varied applications.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"672 ","pages":"Article 128376"},"PeriodicalIF":2.0,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145414777","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}
Pub Date : 2025-12-15Epub Date: 2025-10-19DOI: 10.1016/j.jcrysgro.2025.128370
Kohei Shima, Haruto Tsujitani, Shigefusa F. Chichibu
sp2-bonded BN films exhibiting deep-ultraviolet luminescence peaks were grown by metalorganic chemical vapor deposition using tris(dimethylamino)borane [TDMAB, B[N(CH3)2]3] and NH3 as B and N sources, respectively. BN films with thicknesses ranging from 0.7 to 6.1 µm were grown at temperatures () between 1200 and 1500 °C, under mass-transport-limited growth conditions. The results of x-ray diffraction, transmission electron microscopy, Fourier transform infrared spectroscopy, Raman-scattering spectroscopy, and x-ray photoelectron spectroscopy confirmed the dominance of turbostratic BN and the presence of partially ordered structures such as ABC-stacked rhombohedral phases, along with minor contributions from B-O and C-N bonds. The films exhibited broad cathodoluminescence bands centered at 5.5 eV, 4.1 eV, and 3.2 eV, which are attributable to stacking defects, most probably C impurities, and possibly O impurities, respectively. One of the samples exhibited distinct zero-phonon lines at 4.14 and 4.16 eV attributable to C dimer defects in ABC-stacked (rhombohedral) and AB-stacked (Bernal) BN phases, respectively. Compared with a reference BN epilayer grown using the BCl3-NH3-N2 gas system, B[N(CH3)2]3-grown films exhibited approximately twofold higher cathodoluminescence intensities in the 5.2–6.1 eV range at 300 K, likely due to the reduced incorporation of nonradiative recombination centers. The cathodoluminescence intensity was maximized at = 1400 °C, while both higher and lower resulted in higher concentrations of nonradiative recombination centers, likely associated with C-N bonds and divacancies comprising a B-vacancy and a N-vacancy, VBVN, respectively. These results demonstrate that B[N(CH3)2]3 is a suitable B source for the deposition of luminescent BN films, offering the potential for improved deep-ultraviolet emitter performance through reduced impurity incorporation.
{"title":"Deep-ultraviolet luminescence from sp2-bonded BN films grown by metalorganic chemical vapor deposition using tris(dimethylamino)borane","authors":"Kohei Shima, Haruto Tsujitani, Shigefusa F. Chichibu","doi":"10.1016/j.jcrysgro.2025.128370","DOIUrl":"10.1016/j.jcrysgro.2025.128370","url":null,"abstract":"<div><div><em>sp</em><sup>2</sup>-bonded BN films exhibiting deep-ultraviolet luminescence peaks were grown by metalorganic chemical vapor deposition using tris(dimethylamino)borane [TDMAB, B[N(CH<sub>3</sub>)<sub>2</sub>]<sub>3</sub>] and NH<sub>3</sub> as B and N sources, respectively. BN films with thicknesses ranging from 0.7 to 6.1 µm were grown at temperatures (<span><math><mrow><msub><mi>T</mi><mi>g</mi></msub></mrow></math></span>) between 1200 and 1500 °C, under mass-transport-limited growth conditions. The results of x-ray diffraction, transmission electron microscopy, Fourier transform infrared spectroscopy, Raman-scattering spectroscopy, and x-ray photoelectron spectroscopy confirmed the dominance of turbostratic BN and the presence of partially ordered structures such as ABC-stacked rhombohedral phases, along with minor contributions from B-O and C-N bonds. The films exhibited broad cathodoluminescence bands centered at 5.5 eV, 4.1 eV, and 3.2 eV, which are attributable to stacking defects, most probably C impurities, and possibly O impurities, respectively. One of the samples exhibited distinct zero-phonon lines at 4.14 and 4.16 eV attributable to C dimer defects in ABC-stacked (rhombohedral) and AB-stacked (Bernal) BN phases, respectively. Compared with a reference BN epilayer grown using the BCl<sub>3</sub>-NH<sub>3</sub>-N<sub>2</sub> gas system, B[N(CH<sub>3</sub>)<sub>2</sub>]<sub>3</sub>-grown films exhibited approximately twofold higher cathodoluminescence intensities in the 5.2–6.1 eV range at 300 K, likely due to the reduced incorporation of nonradiative recombination centers. The cathodoluminescence intensity was maximized at <span><math><mrow><msub><mi>T</mi><mi>g</mi></msub></mrow></math></span> = 1400 °C, while both higher and lower <span><math><mrow><msub><mi>T</mi><mi>g</mi></msub></mrow></math></span> resulted in higher concentrations of nonradiative recombination centers, likely associated with C-N bonds and divacancies comprising a B-vacancy and a N-vacancy, V<sub>B</sub>V<sub>N</sub>, respectively. These results demonstrate that B[N(CH<sub>3</sub>)<sub>2</sub>]<sub>3</sub> is a suitable B source for the deposition of luminescent BN films, offering the potential for improved deep-ultraviolet emitter performance through reduced impurity incorporation.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"672 ","pages":"Article 128370"},"PeriodicalIF":2.0,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145340021","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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