Journal of Crystal Growth最新文献

{"title":"A numerical investigation into the growth of TiNi thin films using molecular dynamics","authors":"Mohamed Ait ichou ,&nbsp;Hassane Mes-adi ,&nbsp;Khalid Saadouni ,&nbsp;Taoufiq Mouhib","doi":"10.1016/j.jcrysgro.2025.128218","DOIUrl":"10.1016/j.jcrysgro.2025.128218","url":null,"abstract":"<div><div>TiNi thin film has become the most widely used shape memory alloy in various industrial and medical applications. An in-depth study of their growth mechanisms and crystalline properties is essential. Molecular dynamics (MD) simulations provide a comprehensive understanding, predicting various growth mechanisms before making the deposit experimentally, and identifying the optimal growth conditions that lead to the formation crystalline film for achieving desired properties. Here, the effects of incidence energy, substrate temperature, and incidence angle on the deposition of TiNi film are modeled using MD simulation with a 2NN MEAM interatomic potential. The results show that at an incident energy of 0.1 eV, the deposited atoms cluster together, ultimately forming a rough film due to their low surface mobility. In the energy range of 1 to 15 eV, the high mobility of deposited atoms inhibits cluster formation on the surface. This results in smoother films and suggests that the growth occurs in a layer-by-layer manner. Increasing the substrate temperature from 300 to 600 K slightly reduces film roughness. This improvement is due to the enhanced agitation of the atoms, which also promotes the filling of surface voids. At low incidence energies (0.1 and 1 eV), increasing the incidence angle changes the direction of the incoming atoms, causing collisions between these atoms above the surface. This reduction in atomic mobility promotes cluster formation, which in turn increases the roughness of the film. In contrast, for higher incidence energies (10 and 15 eV), the surface roughness remains largely unaffected by the incidence angle up to 45°. Beyond this point, a significant increase in roughness is observed. This behavior is attributed to the self-shadowing effect. Increasing the incident energy enhances the diffusion of film atoms from the surface sites into deeper layers of the substrate. This process is accompanied by the ejection of substrate atoms into the thin film, which improves mixing. Based on the common neighbor analysis of atoms, the film maintains an amorphous structure under all deposition conditions and the FCC phase diminishes with increasing incidence energy and temperature.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"667 ","pages":"Article 128218"},"PeriodicalIF":1.7,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144099321","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":"InAs/InAsSb type-II superlattice mid-wavelength infrared photodetectors with high antimony component absorber quantum efficiency enhancement","authors":"Junkai Jiang ,&nbsp;Kai Liu ,&nbsp;Lang Zhou ,&nbsp;Yuan Zhao ,&nbsp;Ruidong Li ,&nbsp;Tuo Li ,&nbsp;Donghai Wu ,&nbsp;Guowei Wang ,&nbsp;Dongwei Jiang ,&nbsp;Hongyue Hao ,&nbsp;Yingqiang Xu ,&nbsp;Zhichuan Niu","doi":"10.1016/j.jcrysgro.2025.128228","DOIUrl":"10.1016/j.jcrysgro.2025.128228","url":null,"abstract":"<div><div>At cryogenic temperatures of 77 K, InAs/InAsSb superlattice-based infrared p-i-n photodetectors on GaSb substrates have exhibited remarkable performance. The devices exhibit 50 % and 100 % cut-off wavelengths of ∼ 4.7 μm and ∼ 5.2 μm at 77 K, respectively. At 0 mV bias voltage, the device demonstrates a peak responsivity of 1.21 A/W, with a quantum efficiency of 42 %. Under 77 K conditions, the dark current density values were found to be 1.46 × 10⁻⁴ A/cm² (0 mV bias) and 8.63 × 10⁻⁴ A/cm² (−200 mV bias). Additionally, the device exhibited a specific detectivity (D*) of 8.18 × 10¹⁰ cm·Hz¹/²/W at 3.5 μm peak responsivity under zero bias.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"666 ","pages":"Article 128228"},"PeriodicalIF":1.7,"publicationDate":"2025-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143948612","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":"Design of hard-shaft Czochralski growth furnace based on motion separation sealing for large-size monocrystalline silicon growth","authors":"Zhange Zhang ,&nbsp;Liang Zhu ,&nbsp;Ziliang Gu ,&nbsp;Deqing Mei ,&nbsp;Yancheng Wang","doi":"10.1016/j.jcrysgro.2025.128233","DOIUrl":"10.1016/j.jcrysgro.2025.128233","url":null,"abstract":"<div><div>Czochralski growth process has been used for the fabrication of monocrystalline silicon, while the furnace vibration is always observed and seriously affect the quality of silicon ingots, especially for large-size monocrystalline silicon. This paper studied the structural design of hard-shaft monocrystal furnace by separating the axial and circumferential motions between the furnace chamber, the vibration caused by crystal rotation can be greatly reduced. With more stable pulling speed control, the furnace can achieve a uniform thermal field and temperature distribution on the growth interface for monocrystalline silicon growth with high quality. Then, numerical model was established to analyze the thermal field of the growth chamber and especially its influence on furnace vibrations. The vibration tests were conducted and results showed that the vibration acceleration of the growth furnace based on our designed motion separation sealing structure is extremely low. After that, 12-inch monocrystalline silicon growth experiments were conducted and the sliced silicon wafer was characterized. Characterization results showed that the oxygen content of the silicon wafer is low with the value of 7.5 × 10¹⁷ /cm³, the average resistivity is about 12.97 Ω·mm with a radial resistance variation of 3.79 %. The obtained results indicated that our designed hard-shaft monocrystal furnace could be used for high-quality large-size silicon growth production.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"666 ","pages":"Article 128233"},"PeriodicalIF":1.7,"publicationDate":"2025-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934947","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":"Retraction notice to “Temperature-dependent crystallization of TiO2: A pathway to optimize efficiency in perovskite solar cells” [J. Crys. Growth 659 (2025) 128133]","authors":"Gani Purwiandono ,&nbsp;Puji Lestari ,&nbsp;Fina Binazir Maziya ,&nbsp;Dara Rossa Alcintaka ,&nbsp;Rizky Fajrie Novriansyah","doi":"10.1016/j.jcrysgro.2025.128206","DOIUrl":"10.1016/j.jcrysgro.2025.128206","url":null,"abstract":"","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"664 ","pages":"Article 128206"},"PeriodicalIF":1.7,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084693","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":"Understanding of the surface morphology dynamics of Ni and Fe from scaling analysis: A kinetic Monte Carlo study","authors":"Sonia Blel","doi":"10.1016/j.jcrysgro.2025.128232","DOIUrl":"10.1016/j.jcrysgro.2025.128232","url":null,"abstract":"<div><div>The current paper examines the homo-epitaxial growth for two materials Ni and Fe via Kinetic Monte-Carlo (KMC) simulations based on the solid-on-solid model. We have investigated a qualitative and quantitative study for these materials. The stable surface is studied under various growth temperatures. We have extracted the critical exponents from the corresponding asymptotic behavior of the height-height correction function. Our results were compared to the available theoretical results and seem advantageous for a better understanding of the growth dynamics. We also discussed how the energy value of the next-nearest-neighbor (NNN) affects the scaling exponents and the roughness of the unstable surface morphology, due to the presence of an Ehrlich–Schwoebel (ES) barrier. We found that their effect becomes very clear in the case of Fe rather than Ni material.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"666 ","pages":"Article 128232"},"PeriodicalIF":1.7,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143942229","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":"X-ray line diffraction study of preferred oriented hexagonal zincite nanocrystals: A crystallographic investigation","authors":"Md. Ashraful Alam ,&nbsp;Md. Khalid Hossain Shishir ,&nbsp;Debasish Sarkar ,&nbsp;Raton Kumar Bishwas ,&nbsp;Shirin Akter Jahan","doi":"10.1016/j.jcrysgro.2025.128230","DOIUrl":"10.1016/j.jcrysgro.2025.128230","url":null,"abstract":"<div><div>Multifunctional nanoscale, pure and high crystalline ZnO (Zincite) at room temperature synthesis through zinc nitrate hexahydrate and ammonium hydroxide prefers to develop hexagonal wurtzite structure consisting of lattice parameters a=b= 3.251 Å, c= 5.208 Å; α=β= 90°, γ= 120° with a Zn-O bond length of 1.9785 Å. Different crystallographic parameter calculated and several identical models were employed to analyze crystallite sizes, lattice strain, stress and density. The specific processing condition prefers to grow in direction of (1<!--> <!-->0<!--> <!-->1), which may influence electronic, optical and functional properties. The Rietveld refinement revealed that synthesized material consists entirely of 100 % Zincite phase. Transmission electron microscope (TEM) analysis revealed a homogeneous distribution of interface nanocrystals, indicating the nanocrystals were in pure form and exhibited a unified contribution with polyhedral morphology. TEM histogram of Zincite showed a nanoscale particle distribution with an average size of approximately 48.39 nm. Selected area electron diffraction (SAED) pattern analysis confirmed that Zincite crystals were highly oriented, predominantly along the (0<!--> <!-->0<!--> <!-->2) plane, with d-spacing of 0.2577 nm, indicating a highly crystalline and well-ordered lattice structure. The atomic mass composition was calculated to be 81 % Zn and 19 % O, confirming a unified crystal structure. Vibrating sample magnetometer (VSM) analysis revealed that the synthesized Zincite nanocrystals exhibited paramagnetic behavior. X-ray photoelectron spectrometer (XPS) analysis explored characteristic Zn 2p peaks, with Zn 2p_3/2 at a binding energy of 1022.19 eV, indicating the presence of Zn²⁺ in wurtzite (ZnO) structure.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"666 ","pages":"Article 128230"},"PeriodicalIF":1.7,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143922356","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":"In situ XRD study of nano-crystalline NiO formation on Ni-coated carbon fibers: Structural and optical properties","authors":"Mohamed Yacine Debili ,&nbsp;Mohamed Fares ,&nbsp;Mohammed Messaoudi","doi":"10.1016/j.jcrysgro.2025.128231","DOIUrl":"10.1016/j.jcrysgro.2025.128231","url":null,"abstract":"<div><div>The study focused on nickel-coated carbon fibers, where nickel was partially substituted by carbon, forming a compound Ni_1-xC_x (with x  = 0 &lt; x &lt; 1). These modified fibers exhibit excellent surface properties, making them promising for nuclear applications, such as detectors and reflectors. The fibers were subjected to annealing treatments under vacuum and in open air at 500 °C. X-ray diffraction (XRD) analysis revealed that oxidation induces long-range carbon diffusion and results in the formation of a NiO layer on the fiber surfaces. Notably, cubic-type nanostructured NiO (NaCl type) was observed to begin forming at 350 °C. Scanning Electron Microscopy (SEM) showed that the coated fibers exhibit a granular morphology with nanometer-sized grains. Using a 375 nm excitation wavelength, photoluminescence measurements displayed two broad emission peaks. These peaks are likely attributed to electronic transitions involving the 3d electrons of Ni²⁺ ions. Overall, the work demonstrates that controlled oxidation can tailor the surface properties of these fibers, potentially enhancing their performance in nuclear applications by combining semiconducting and reflective characteristics.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"666 ","pages":"Article 128231"},"PeriodicalIF":1.7,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143922355","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":"Green synthesis of α-MoO3 nanorods using Tridax procumbens leaf extract for photodegradation and antimicrobial applications against cationic tri-pigments","authors":"Aswin M. ,&nbsp;Ambrose Rejo Jeice ,&nbsp;Prammitha Rajaram","doi":"10.1016/j.jcrysgro.2025.128229","DOIUrl":"10.1016/j.jcrysgro.2025.128229","url":null,"abstract":"<div><div>In this study, an eco-friendly synthesis route was developed for the fabrication of α-MoO₃ nanorods using <em>Tridax procumbens</em> leaf extract as a natural reducing and stabilizing agent in a divergent medium. The phytochemicals present in the extract played a crucial role in directing the nanorod formation while eliminating the need for hazardous chemicals. Structural, morphological, and optical properties of the synthesized nanorods were thoroughly examined using X-ray diffraction (XRD), UV–visible spectroscopy (UV–Vis), Fourier-transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), energy-dispersive X-ray analysis (EDAX), and micro-Raman spectroscopy. The results confirmed the formation of orthorhombic phase α-MoO₃ with a band gap energy of 2.58 eV and a distinct nanorod morphology. The antimicrobial potential of the synthesized α-MoO₃ nanorods was evaluated against <em>Aspergillus flavus</em>, <em>Staphylococcus aureus</em>, and <em>Escherichia coli</em>, showing notable inhibitory effects. Additionally, photocatalytic studies under UV–Vis light revealed efficient degradation of cationic dyes, including Methylene Blue (MB), Brilliant Green (BG), and Rhodamine B (RhB). The enhanced photocatalytic activity is attributed to the reduced band gap and increased surface area of the nanorods. Overall, the green-synthesized α-MoO₃ nanorods demonstrate promising applications in wastewater treatment and antimicrobial processes, offering a sustainable solution for environmental remediation.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"666 ","pages":"Article 128229"},"PeriodicalIF":1.7,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934948","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":"Numerical simulation of thick SiC crystal based on ring-shaped powder structure","authors":"Ning Zhang ,&nbsp;Xiufang Chen ,&nbsp;Zheyang Li ,&nbsp;Xuejian Xie ,&nbsp;Xianglong Yang ,&nbsp;Wancheng Yu ,&nbsp;Xiaobo Hu ,&nbsp;Guanglei Zhong ,&nbsp;Le Yu ,&nbsp;Rui Jin ,&nbsp;Xiangang Xu","doi":"10.1016/j.jcrysgro.2025.128220","DOIUrl":"10.1016/j.jcrysgro.2025.128220","url":null,"abstract":"<div><div>Silicon carbide (SiC) has important application prospects in power and radio frequency (RF) devices. However, the expensive SiC substrate is a key factor restricting the cost of the devices. Developing large-diameter and thick SiC crystal growth technology is expected to reduce the cost of SiC substrate. Currently, challenges such as limited thickness, elevated thermal stress, and high defect density remain in SiC crystal growth. Based on simulation tools, the effect of the powder size and the distance between the seed and powders surface on thermal field, crystal thickness and dislocation density are analysed. Then, a ring-shaped powder structure is proposed to enhance both the growth rate and the quality of the crystal. Simulations with different powder sizes in the inner circle and outer ring reveal that when the powder sizes are 500 μm in the inner circle and 10,000 μm in the outer ring, a uniform temperature field, a rapid crystal growth rate, and a low dislocation density can be achieved. Additionally, by optimizing the insulation structure, the crystal achieves a slightly convex surface and a lower dislocation density. The results indicate that the ring-shaped powder structure can enhance powder utilization, enable the growth of thick crystals, and reduce dislocation density.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"665 ","pages":"Article 128220"},"PeriodicalIF":1.7,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143898389","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":"The growth of void-free ZnTe-based crystals from Te solution by re-dissolution procedure","authors":"Guanrong Zhu,&nbsp;Tingting Zhang,&nbsp;Xiaoxiao Wei,&nbsp;Guorong Zhang,&nbsp;Leilei Ji,&nbsp;Jiahui Lv,&nbsp;Zeyu Lu,&nbsp;Yuchen Song,&nbsp;Hao Lei,&nbsp;Changyou Liu,&nbsp;Tao Wang,&nbsp;Lingyan Xu,&nbsp;Wanqi Jie","doi":"10.1016/j.jcrysgro.2025.128219","DOIUrl":"10.1016/j.jcrysgro.2025.128219","url":null,"abstract":"<div><div>Void defects are prevalent in ZnTe-based crystals and detrimentally impact their properties. This research aims to elucidate the composition and formation mechanism of the voids. In this experiment, ZnTe crystals were grown by the Te solution method. Energy dispersive spectroscopy (EDS) results demonstrate that the C, Te and Zn elements are distributed on the void surfaces. X-ray photoelectron spectroscopy (XPS) results indicate that the C element mainly exists as zero valence. These results suggest that the carbon film coated on the surface of the quartz crucible must be implicated in the bubble formation. Carbon film possibly reacts with the Te solution to produce a kind of CTe_n gas, which then dissolves into the Te solution. When the temperature decreases, the solubility of the gases diminishes, leading to the bubbles nucleate at the solid–liquid interface or within the Te solution, and further grow. When a bubble is wrapped by the solid–liquid interface, it evolves into a void in the crystal. To eliminate void in ZnTe-based crystals, the low–high temperature cycle procedure was developed to re-dissolve the crystals near the interface and released void, during the crystal growth. Fourier transform infrared spectrometer (FTIR) spectrum demonstrates that the optical properties of the ZnTe-based crystals grown by the re-dissolution procedure are improved significantly.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"665 ","pages":"Article 128219"},"PeriodicalIF":1.7,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143890878","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}