Journal of Crystal Growth最新文献

英文中文

Influence of substrate atomic symmetry on the epitaxy and rotational domain formation of κ-Ga2O3 衬底原子对称对κ-Ga2O3外延和旋转畴形成的影响

IF 2 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-10-14 DOI: 10.1016/j.jcrysgro.2025.128371

Ha Young Kang, Jaeheon Jung, Young Soo Hwang, Roy B. Chung

This study systematically explores the structural factors influencing κ-phase gallium oxide (κ-Ga₂O₃) thin film growth and domain formation on non-basal plane substrates. Accordingly, we grew κ-Ga₂O₃ thin films using mist chemical vapor deposition on both basal and non-basal plane sapphire (c-, a-, m-, and r-plane) and GaN (c- and m-plane) substrates for analysis. Crystallinity, orientation, and domain structures were assessed by X-ray diffraction including 2θ–ω scans, rocking curves, and φ-scans. On c- and a-plane sapphire and GaN substrates, κ-Ga₂O₃ with c-axis orientation was selectively stabilized, whereas α-Ga₂O₃ predominantly formed on r- and m-plane sapphire. Regardless of substrate symmetry, all κ-Ga₂O₃ films exhibited persistent three-fold rotational domains, highlighting the limitations of current substrate configurations. These results demonstrate the significant influence of substrate atomic arrangement on phase stability and domain control, emphasizing the need for advanced substrate engineering to realize single-domain κ-Ga₂O₃ thin films with improved crystalline quality.

本研究系统探讨了影响κ相氧化镓（κ-Ga2O3）薄膜在非基面基底上生长和畴形成的结构因素。因此，我们使用雾状化学气相沉积方法在基面和非基面蓝宝石（c-, a-， m-和r-面）和GaN （c-和m-面）衬底上生长了κ-Ga2O3薄膜进行分析。通过x射线衍射（包括2θ -ω扫描、摇摆曲线和φ扫描）评估了结晶度、取向和畴结构。在c面和a面蓝宝石和GaN衬底上，具有c轴取向的κ-Ga2O3选择性稳定，而α-Ga2O3主要在r面和m面蓝宝石上形成。不管衬底的对称性如何，所有的κ-Ga2O3薄膜都表现出持续的三重旋转畴，这突出了当前衬底结构的局限性。这些结果表明，衬底原子排列对相稳定性和畴控制有重要影响，强调需要先进的衬底工程来实现具有更高结晶质量的单畴κ-Ga2O3薄膜。

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引用次数: 0

Molecular beam epitaxy of flexible InN thin films on fluorophlogopite mica 氟云母上柔性InN薄膜的分子束外延

IF 2 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-10-14 DOI: 10.1016/j.jcrysgro.2025.128355

Yingzhao Geng , Yang Xu , Xu Li , Xiao Wang , Hao Wu , Chang Liu

InN thin films have been deposited on fluorophlogopite mica (F-mica) substrates by molecular beam epitaxy (MBE) under various growth conditions. The N₂ flow rate and radio-frequency (RF) power were adjusted to realize N-rich and In-rich growth conditions. During the transition from N-rich to In-rich conditions, the plateaus formed by partially coalesced larger grains or islands were observed, which was attributed to the short diffusion length of indium (In) atoms. Meanwhile, the In-rich InN thin films exhibit lower dislocation densities than those of N-rich thin films. Under In-rich conditions, similar plateaus were also observed at lower growth temperatures. Additionally, the surface roughness and total dislocation density were reduced by increasing the growth and In source temperatures to 490 and 775 °C. Throughout all growth condition, the in-plane epitaxial relationship remains as InN [110]//F-mica [010].

在不同的生长条件下，采用分子束外延（MBE）技术在氟云母（F-mica）衬底上制备了InN薄膜。通过调节氮气流量和射频（RF）功率来实现富n和富in的生长条件。在从富n向富In过渡的过程中，观察到由部分合并的较大颗粒或岛屿形成的高原，这是由于铟原子的扩散长度较短。同时，富n- n薄膜的位错密度低于富n薄膜。在富in条件下，在较低的生长温度下也观察到类似的高原。此外，将生长温度和In源温度分别提高到490℃和775℃，表面粗糙度和总位错密度都有所降低。在所有生长条件下，面内外延关系保持为InN [110]//F-mica[010]。

引用次数: 0

Strain modulation in 2D GaSe epitaxial films by substrate engineering via molecular beam epitaxy (MBE) 基于分子束外延（MBE）衬底工程的二维GaSe外延薄膜应变调制

IF 2 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-10-14 DOI: 10.1016/j.jcrysgro.2025.128369

Minh-Anh Nguyen Tran , Van Quang Nguyen , Cao Khang Nguyen , Sunglae Cho

In this work, we systematically investigate the epitaxial growth of GaSe thin films on different substrates, including GaAs(100), GaAs(111), GaN/Al₂O₃(0001), and SrTiO₃(001), using molecular beam epitaxy (MBE). All films exhibit a universal strain configuration with biaxial tensile strain in the basal plane coupled with out-of-plane compressive strain, whose magnitude varies with substrate type. On cubic GaAs substrates, GaSe grows with well-aligned single domains, while hexagonal GaN and perovskite STO promote multiple domain orientations, reflecting the role of interfacial symmetry mismatch. X-ray diffraction confirms out-of-plane lattice contraction, with compressive strain ranging from ∼1.3 % on GaAs(1 0 0) to ∼2.5 % on GaN(0001). Raman spectroscopy shows red-shifts of the in-plane

E_{2 g}^{2}

phonon mode, directly evidencing biaxial tensile strain. These findings demonstrate that substrate-induced strain, governed primarily by symmetry mismatch, provides a powerful and intrinsic route to tailor the optical and electronic properties of GaSe, enabling new strategies for strain-engineered 2D optoelectronic devices.

在这项工作中，我们系统地研究了GaSe薄膜在不同衬底上的外延生长，包括GaAs(100), GaAs(111), GaN/Al2O3（0001）和SrTiO3(001)，使用分子束外延（MBE）。所有薄膜均呈现出基面上双轴拉伸应变与面外压缩应变耦合的通用应变结构，其大小随衬底类型而异。在立方GaAs衬底上，GaSe以排列良好的单畴生长，而六边形GaN和钙钛矿STO促进多畴取向，反映了界面对称性失配的作用。x射线衍射证实了面外晶格收缩，压缩应变范围从GaAs（1 00）的~ 1.3%到GaN（0001）的~ 2.5%。拉曼光谱显示平面内E2g2声子模式的红移，直接证明了双轴拉伸应变。这些发现表明，主要由对称失配控制的衬底诱导应变，为定制GaSe的光学和电子特性提供了一种强大而内在的途径，为应变工程二维光电器件提供了新的策略。

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引用次数: 0

Single crystal growth, study of magnetic and transport properties in the noncentrosymmetric material YCoC2 非中心对称材料YCoC2的单晶生长、磁性和输运性质研究

IF 2 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-10-13 DOI: 10.1016/j.jcrysgro.2025.128343

Debajani Rout , R. Kulkarni , A. Thamizhavel , Santosh Kumar

We report the growth of single crystals of the non-centrosymmetric material YCoC₂ by the Czochralski technique using a tetra arc furnace. This compound belongs to the family of rare-earth transition-metal carbides, the members of which exhibit a wide range of interesting phenomena including topological semimetallic behaviour. We have investigated the magnetic and transport properties of YCoC₂. The results of resistivity measurements revealed a typical metallic behaviour across the temperature range, 4 < T < 300 K. At T = 3.9(1) K, a transition in both magnetization and resistivity measurements has been observed. This feature has been explored in detail with the temperature-dependent magnetization M(T) and resistivity ρ(T) measurements carried out at different magnetic fields.

本文报道了在四弧炉中，用Czochralski法生长非中心对称材料YCoC2的单晶。该化合物属于稀土过渡金属碳化物家族，其成员表现出广泛的有趣现象，包括拓扑半金属行为。我们研究了YCoC2的磁性和输运性质。电阻率测量结果显示在4 <； T <； 300 K的温度范围内具有典型的金属行为。在T = 3.9(1) K时，磁化率和电阻率测量值都发生了转变。在不同磁场下进行的温度相关磁化强度M(T)和电阻率ρ(T)测量详细探讨了这一特征。

引用次数: 0

Research on MOCVD structure design and process parameters based on CFD numerical simulation 基于CFD数值模拟的MOCVD结构设计及工艺参数研究

IF 2 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-10-12 DOI: 10.1016/j.jcrysgro.2025.128366

Ya Li , Jing Liang , Yucong Lin , Yu Lu , Zhifeng Wang , Houfu Dai , Jian Li

Zinc oxide (ZnO) films hold significant value in the field of optoelectronic devices due to their exceptional properties as wide bandgap semiconductors. Although Metal-Organic Chemical Vapor Deposition (MOCVD) technology enables the production of high-quality thin film epitaxy, its industrial application continues to encounter persistent challenges related to inadequate deposition uniformity and efficiency. In this research, we employed a novel vertical reaction chamber ZnO-MOCVD device to systematically investigate the synergistic mechanisms governing multiple parameters—including MO source, O source, Ar carrier gas flow rate, and observation window flow rate—through multi-physics coupled numerical simulations and orthogonal experimental design. The results demonstrate that precisely adjusting the O source flow velocity effectively mitigates vortex phenomena within the turntable, thereby stabilizing the laminar flow state. Increasing the inlet flow rate suppresses the thermal buoyancy effect and reduces the risk of gas-phase pre-reaction. The synergistic regulation of MO and O flow velocities significantly enhances the uniformity of diethyl zinc (DEZn) and oxygen (O₂) distribution. Orthogonal analysis successfully identified the optimal combination of process parameters, resulting in an exceptional deposition rate (0.2049 μm/h) and a coefficient of variation (4 %), thereby fully validating the effectiveness of the multi-parameter collaborative optimization strategy. This research provides an important theoretical foundation for MOCVD equipment process design and offers crucial guidance for advancing the industrial preparation of high-performance ZnO films.

氧化锌（ZnO）薄膜由于其作为宽禁带半导体的优异性能，在光电器件领域具有重要的应用价值。尽管金属有机化学气相沉积（MOCVD）技术能够生产高质量的薄膜外延，但其工业应用仍然面临与沉积均匀性和效率不足相关的持续挑战。本研究采用新型垂直反应室ZnO-MOCVD装置，通过多物理场耦合数值模拟和正交实验设计，系统研究MO源、O源、Ar载气流速和观测窗流速等多个参数的协同作用机制。结果表明，精确调节O源流速可有效缓解转台内的涡旋现象，从而稳定层流状态。增大进口流量可以抑制热浮力效应，降低气相预反应的风险。MO和O流速的协同调节显著提高了二乙基锌（DEZn）和氧（O2）分布的均匀性。正交分析成功地确定了工艺参数的最佳组合，获得了优异的沉积速率（0.2049 μm/h）和变异系数（4%），从而充分验证了多参数协同优化策略的有效性。该研究为MOCVD设备工艺设计提供了重要的理论基础，对推进高性能ZnO薄膜的工业化制备具有重要的指导意义。

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引用次数: 0

Growth of large-sized α-HH via Mg2+-involved atmospheric salt bath-stirring strategy: crystallization mechanism and enhanced mechanical properties Mg2+参与的常压盐浴搅拌策略下大尺寸α-HH的生长：结晶机理和力学性能的增强

IF 2 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-10-11 DOI: 10.1016/j.jcrysgro.2025.128356

Yisong Yang , Sha Chen , Zhishun Wei , Ying Chang , Yan Xiong , Junxiang Zhao , Hu Zhu , Min Li , Qirui Yang , Guoqiang Yi

This study proposes a method involving stirring after a constant-temperature water bath in a salt solution to enhance the crystal size, overall homogeneity, and hydration strength of α-hemihydrate gypsum (α-HH). Utilizing by-product gypsum from the chlor-alkali industry as raw material, the influence of Mg²⁺ ions on phase evolution and final morphology was systematically investigated. During the constant-temperature water bath process in salt solution, the neutral MgSO₄⁰ ion pairs formed by Mg²⁺ and SO₄^2- facilitated the dissolution of dihydrate gypsum (DH) while amplifying the solubility difference between α-HH and DH, thereby promoting preferential crystallization and precipitation of α-HH. Furthermore, Mg²⁺ inhibited crystal growth along the c-axis direction during α-HH development, effectively reducing the aspect ratio. The subsequent stirring process significantly increased secondary nucleation probability, enabling mutual adhesion among α-HH crystals of varying dimensions. This synergistic process ultimately yielded enlarged α-HH crystals with an average particle size of 143.21 μm and aspect ratio of 5.57. The flexural strength and absolute dry compressive strength of bulk samples prepared from these α-HH crystals are discussed in detail, demonstrating substantial improvements in mechanical properties compared to conventional preparation methods.

本研究提出了在盐溶液中进行恒温水浴后搅拌的方法，以提高α-半水石膏（α-HH）的晶粒尺寸、整体均匀性和水化强度。以氯碱工业副产石膏为原料，系统研究了Mg2+离子对相演化和最终形貌的影响。在盐溶液中恒温水浴过程中，Mg2+和SO42-形成的中性MgSO40离子对促进了二水石膏（DH）的溶解，同时放大了α-HH和DH的溶解度差，从而促进了α-HH的优先结晶和沉淀。此外，在α-HH发育过程中，Mg2+抑制了晶体沿c轴方向的生长，有效地降低了长宽比。随后的搅拌过程显著增加了α-HH晶体的二次成核概率，使不同尺寸的α-HH晶体之间能够相互粘附。这一协同过程最终得到了平均粒径为143.21 μm、长径比为5.57的α-HH晶体。详细讨论了α-HH晶体制备的体试样的抗弯强度和绝对干抗压强度，表明与传统制备方法相比，α-HH晶体的力学性能有了实质性的改善。

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引用次数: 0

Low-temperature ECR-PEMOCVD growth of β-Ga2O3 thin films on FTO/glass for potential vertical Schottky diode applications FTO/玻璃上用于垂直肖特基二极管的β-Ga2O3薄膜的低温ECR-PEMOCVD生长

IF 2 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-10-04 DOI: 10.1016/j.jcrysgro.2025.128348

Jian Li , Yaxin Zhao , Xuan Wang , Chunyu Ma , Shuang Zhao , Hongsheng Liu , Karpinski Dzmitry , Fuwen Qin

The low-temperature growth of β-Ga₂O₃ thin films on FTO/glass substrates was achieved using ECR-PEMOCVD with TMGa and O₂ as precursors, and their structural, optical, and electrical properties were systematically investigated. XRD results reveal a clear evolution in crystallinity: as the substrate temperature increased from 350 °C to 500 °C and the discharge pressure decreased from 2.0 Pa to 0.5 Pa, the β-Ga₂O₃ films transitioned from amorphous to polycrystalline, eventually exhibiting strong (110) preferred orientation. XPS analysis confirmed the n-type conductivity of the films. A vertical metal–semiconductor–metal (MSM) Schottky diode based on Ni/n-type β-Ga₂O₃/FTO demonstrated a high rectification ratio of 1.57 × 10³ at ± 4 V, a Schottky barrier height of 0.8–0.9 eV, and a carrier concentration of approximately 2 × 10¹⁶ cm⁻³. These results suggest that ECR-PEMOCVD is a promising approach for the low-temperature deposition of β-Ga₂O₃ thin films, with great potential for vertical device applications under limited thermal budgets.

采用ECR-PEMOCVD，以TMGa和O2为前驱体，在FTO/玻璃基底上实现了β-Ga2O3薄膜的低温生长，并对其结构、光学和电学性能进行了系统的研究。XRD结果表明，随着衬底温度从350℃升高到500℃，放电压力从2.0 Pa降低到0.5 Pa， β-Ga2O3薄膜的结晶度由非晶向多晶转变，最终表现出强（110）择优取向。XPS分析证实了薄膜的n型电导率。基于Ni/n型β-Ga2O3/FTO的垂直金属-半导体-金属（MSM）肖特基二极管在±4 V下的整流比为1.57 × 103，肖特基势垒高度为0.8-0.9 eV，载流子浓度约为2 × 1016 cm−3。这些结果表明，ECR-PEMOCVD是一种很有前途的β-Ga2O3薄膜低温沉积方法，在有限的热预算下具有很大的垂直器件应用潜力。

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引用次数: 0

Effect of dysprosium concentration on the photocatalytic and electrochemical properties of zirconium ferrite nanoparticles 镝浓度对铁酸锆纳米粒子光催化及电化学性能的影响

IF 2 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-10-03 DOI: 10.1016/j.jcrysgro.2025.128354

D. Sasireka , N. Kavitha , T.Sathis Kumar , L.Bruno Chandrasekar

A novel dysprosium-doped zirconium ferrite was prepared by the chemical precipitation method. The doping concentration of dysprosium was set at 0 %, 2 %, and 4 %. The structural properties, such as crystalline size and strain, were examined. The doping tuned the morphology of the nanoparticles. The band gap of the material decreases as the doping of dysprosium increases. The degradation of methylene blue was examined under natural sunlight and 93.2 % degradation efficiency was achieved at 120 min. The doping enhances the degradation efficiency using the zirconium ferrite catalyst. The electrochemical properties of the prepared nanoparticles as electrodes in a supercapacitor were studied using cyclic voltammetry and the galvanostatic charge–discharge technique. The maximum specific capacitance of ∼ 375F/g was observed at the scan rate of 5 mV/s.

采用化学沉淀法制备了一种新型掺镝铁氧体锆。镝的掺杂浓度分别为0%、2%和4%。研究了晶体尺寸和应变等结构性能。掺杂调整了纳米颗粒的形态。材料的带隙随着镝掺杂量的增加而减小。在自然光照条件下对亚甲基蓝进行了降解实验，在120 min下，亚甲基蓝的降解率达到了93.2%。该掺杂提高了铁酸锆催化剂的降解效率。采用循环伏安法和恒流充放电技术研究了制备的纳米颗粒作为超级电容器电极的电化学性能。扫描速率为5 mV/s时，最大比电容为~ 375F/g。

引用次数: 0

Enhanced separation of d-mannitol polymorphs I and II via nucleation control in swift cooling crystallization 通过快速冷却结晶的成核控制，增强了d-甘露醇多晶I和II的分离

IF 2 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-10-02 DOI: 10.1016/j.jcrysgro.2025.128353

Lavanisadevi Subiramaniyam, Srinivasan Karuppannan

The nucleation behaviour of d-mannitol polymorph which is influenced by supersaturation was scrutinized by swift cooling crystallization process in pure aqueous solution. During swift cooling, concentration of d-mannitol in the solution creates different level of relative supersaturation leads to substantial differences in induction time, nucleation and morphology of the resultant polymorphs. This technique is employed to generate wide range of relative supersaturation (0.159 < σ < 3.860) corresponds to the rapid decrease in the temperature from 55 °C to shifting temperature of 54–1 °C. Specifically, lower level of relative supersaturation promotes the stable form I polymorph, while the nucleation of form I and form II polymorph is flavoured in intermediate level. Conversely, higher level of relative supersaturation induces the formation of only metastable form II polymorph. In-situ optical microscopy was employed to analysis the morphology of the nucleated polymorphs. Further characterization was done to validate the internal structure and thermal stability of the grown polymorphs through powder X-ray diffraction (PXRD) and differential scanning calorimetry (DSC) analyses. Rietveld refinement was employed to confirm the structures of both polymorphs, supporting a reliable interpretation of the PXRD results. This work shows a key advantage in understanding the crystallization behaviour which can be employed for the nucleation of d-mannitol polymorphs without any external additives within the solution.

采用快速冷却结晶法研究了d-甘露醇多晶在纯水溶液中的成核行为。在快速冷却过程中，溶液中d-甘露醇的浓度产生不同程度的相对过饱和，导致诱导时间、成核和形成的多晶形态存在实质性差异。该技术可产生较宽的相对过饱和度范围（0.159 < σ < 3.860），对应于温度从55℃迅速下降到54-1℃的转变温度。其中，较低的相对过饱和度促进了I型多晶的稳定形成，而I型多晶和II型多晶的成核在中间水平上受到促进。相反，较高的相对过饱和度只会形成亚稳型II型多晶。采用原位光学显微镜分析了成核多晶的形貌。通过粉末x射线衍射（PXRD）和差示扫描量热分析（DSC）进一步表征了生长的多晶体的内部结构和热稳定性。采用Rietveld细化来确认两种多晶的结构，支持对PXRD结果的可靠解释。这项工作显示了理解结晶行为的关键优势，可以用于d-甘露醇多晶形物的成核，而无需在溶液中添加任何外部添加剂。

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引用次数: 0

Growth of rutile GeO2 nanoneedles supported by in situ microscopy 原位显微镜支持下金红石型GeO2纳米针的生长

IF 2 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-10-01 DOI: 10.1016/j.jcrysgro.2025.128351

Alexey S.T. Rybakov, Vu Anton Lie, Louis Mirecki, Jörg August Becker

Rutile GeO₂ nanoneedles were grown using a method involving eutectics of the Ge-GeO₂ system and chemical transport reactions. The synthesis was carried out at 1095–1215 K in a miniature cell, which is evacuated and sealed, enclosing all products that are generated in reactions. In this cell, one can observe the processes throughout all stages of the method in situ via video microscopy. Differences in the process development depending on the heating time and mass ratio of reagents were revealed. Depending on the latter condition, two ways for growing nanoneedles have been proposed. The needles and other reaction products were studied ex situ using SEM, dark-field and bright-field TEM, HRTEM, SAED, EDX and Raman spectroscopy. The nanoneedles are single crystals without any amorphous surface layer. They are rutile GeO₂ and belong to the tetragonal crystal system. Their longitudinal growth direction is

(001)

. The spacings between lattice planes in the longitudinal and lateral directions are found to be 2.8 Å and 3.2 Å respectively. At higher temperatures, larger micrometre-sized crystals of rutile GeO₂ with various morphologies are formed.

采用Ge-GeO2体系共晶和化学传递反应的方法制备了金红石型GeO2纳米针。在1095-1215 K的温度下，在一个微型细胞中进行合成，该细胞是真空和密封的，封闭了反应中产生的所有产物。在这个细胞中，人们可以通过视频显微镜原位观察方法所有阶段的过程。结果表明，不同的加热时间和试剂的质量比对反应的影响不同。根据后一种条件，提出了两种生长纳米针的方法。采用SEM、暗场和明场TEM、HRTEM、SAED、EDX和拉曼光谱对针和其他反应产物进行了非原位研究。纳米针是单晶，没有任何非晶表面层。它们是金红石型GeO2，属于四方晶系。它们的纵向生长方向为001。在纵向和横向上，晶格面间距分别为2.8 Å和3.2 Å。在较高的温度下，形成具有不同形貌的较大微米尺寸的金红石型GeO2晶体。

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