Thilo Hepp, Saleh Firoozabadi, Robin Günkel, Varun Chejarla, Oliver Maßmeyer, Andreas Beyer, Kerstin Volz
{"title":"Correlation of interface structure and optical properties of Ga(N,As) and Ga(As,Bi) based type-II hetero structures","authors":"Thilo Hepp, Saleh Firoozabadi, Robin Günkel, Varun Chejarla, Oliver Maßmeyer, Andreas Beyer, Kerstin Volz","doi":"10.1016/j.jcrysgro.2024.127976","DOIUrl":"10.1016/j.jcrysgro.2024.127976","url":null,"abstract":"<div><div>The type-II band alignment of particular III/V heterostructures is a promising route towards achieving certain wavelengths on specific substrates, which would not be possible with type-I structures. One example is telecommunication lasers on GaAs substrates. This study reports on the progress in combining dilute nitrides and dilute bismides in W-type hetero structures to improve the luminescence intensity, which is a fundamental prerequisite for future incorporation in a laser structure. Increasing the emission wavelength of these structures is challenging and the interface formation is critical, especially as two metastable materials are combined. Here, we investigate the impact of different interface configurations by growing Ga(N,As)/Ga(As,Bi) and Ga(As,Bi)/Ga(N,As) type-II structures. We employ metal–organic vapor phase epitaxy (MOVPE) to grow Ga(N,As) and Ga(As,Bi) layers and investigate the effects of interlayer thicknesses on the structural and optical properties of the hetero structures. The results indicate that − while the introduction of a GaAs interlayer can affect the direct and indirect transitions intensities − it does not significantly improve the interface quality. However, this is strongly influenced by the order in which the materials are grown. The growth of Ga(N,As) on Ga(As,Bi) shows no peculiarities, while the type II transition energy is shifted to lower energies when Ga(As,Bi) is grown on Ga(N,As). High-resolution X-ray diffraction (HR-XRD), photoluminescence (PL) spectroscopy, atomic force microscopy (AFM), and scanning transmission electron microscopy (STEM) were used to characterize the samples.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"651 ","pages":"Article 127976"},"PeriodicalIF":1.7,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142719609","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhigang Lu , Jianfeng Pan , Hong Zhang , Chao Jiang , Wenming Yang
{"title":"Quantum chemical study of trimethylindium and trimethylgallium gas-phase reaction pathways in InGaN MOCVD growth","authors":"Zhigang Lu , Jianfeng Pan , Hong Zhang , Chao Jiang , Wenming Yang","doi":"10.1016/j.jcrysgro.2024.127992","DOIUrl":"10.1016/j.jcrysgro.2024.127992","url":null,"abstract":"<div><div>Density functional theory was used to analyze the formation of InGaN from trimethylindium (TMIn) and trimethylgallium (TMGa) by metalorganic chemical vapor deposition in ammonia in terms of the reaction between trimethyl compounds and NH<sub>3</sub>, as well as the subsequent reactions of the key amino species DMInNH<sub>2</sub>. The calculation model is established in GAUSSIAN 09, and the results obtained by the calculation model are proved to be reliable by comparing with the previous research results. Reaction pathways were assumed and the Gibbs free energy and activation free energy calculation were conducted at different temperatures. TMIn and TMGa can undergo adduct reactions with the first NH<sub>3</sub> molecule at reaction temperatures below 596 K and 465 K, respectively, but they cannot further react with the second NH<sub>3</sub> molecule to form additional products. The temperature range for adduct reactions between TMIn and NH<sub>3</sub> is wider compared to TMGa and NH<sub>3</sub>. In the absence of H radicals in the reaction chamber, DMInNH<sub>2</sub> does not undergo spontaneous CH<sub>3</sub> radical elimination reactions or CH<sub>4</sub> elimination reactions. Instead, DMInNH<sub>2</sub> is more inclined to undergo dimerization reactions and CH<sub>4</sub> elimination reactions with NH<sub>3</sub>, leading to the formation of subsequent products, In(NH<sub>2</sub>)<sub>3</sub> and dimers. However, in the presence of H radicals in the reaction chamber, H radicals can facilitate the CH<sub>3</sub> radical elimination reaction of DMInNH<sub>2</sub> and also promote the NH<sub>2</sub> radical elimination reaction of In(NH<sub>2</sub>)<sub>3,</sub> In(NH<sub>2</sub>)<sub>2</sub> and InNH<sub>2</sub>, enabling these reactions to occur spontaneously within the studied temperature range. Consequently, the subsequent products of DMInNH<sub>2</sub> become indium atoms and dimers.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"650 ","pages":"Article 127992"},"PeriodicalIF":1.7,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652406","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":"Characterization and mid-infrared laser operation in Er:CaF2 single crystal fiber grown by the laser heated pedestal growth method","authors":"Xu Wu, Zhen Zhang, Yunfei Wang, Shaochen Liu, Zhonghan Zhang, Liangbi Su, Anhua Wu","doi":"10.1016/j.jcrysgro.2024.127991","DOIUrl":"10.1016/j.jcrysgro.2024.127991","url":null,"abstract":"<div><div>Er:CaF<sub>2</sub> crystal, characterized by low doping and high efficiency, is a suitable material for single-crystal fiber (SCF). 3 at.% Er:CaF<sub>2</sub> SCFs were grown using the laser heated pedestal growth (LHPG) method. Significant oxidation-induced whitening phenomena were observed during growth. Increasing the growth rate helped mitigate further deterioration due to oxidation. This is likely because higher growth speeds allow the SCF to quickly move away from temperature ranges conducive to oxidation. As oxidation progressed, the phonon energy of 3 at.% Er:CaF<sub>2</sub> SCF increased, causing the emission intensity at ∼ 1 μm to decrease from 77 % in the initial source rod to 6 % in the fully whitened state. Additionally, the lifetime of the <sup>4</sup>I<sub>11/2</sub> level decreased by approximately 10 times, from 8.988 ms to 0.822 ms. Continuous laser output at ∼ 2.8 μm was achieved using the transparent portion of 3 at.% Er:CaF<sub>2</sub> SCF. With an output mirror transmission of 2 %, a maximum output power of 251 mW and a slope efficiency of 15.9 % were obtained. The laser experiment demonstrated the potential application of LHPG-grown Er:CaF<sub>2</sub> SCF in ∼ 2.8 μm lasers, but further performance enhancement requires additional strategies to address oxidation issues. This work provides valuable insights into the growth of Er:CaF<sub>2</sub> SCF using the LHPG method.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"650 ","pages":"Article 127991"},"PeriodicalIF":1.7,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652405","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":"Origin of giant dielectric constant in Ta+Gd co-doped TiO2 single crystals by optical traveling floating zone method","authors":"Jiangtao Fan , Zhanggui Hu , Yicheng Wu","doi":"10.1016/j.jcrysgro.2024.127990","DOIUrl":"10.1016/j.jcrysgro.2024.127990","url":null,"abstract":"<div><div>The co-doped TiO<sub>2</sub> polycrystalline ceramics have dramatic dielectric behavior (>10<sup>4</sup>), but its source is still not completely clarified. Compared to ceramic materials, single crystals can maintain most of the original properties of the material and eliminate the grain boundary and pore interferences, thus facilitating the exploration of the source of the dielectric properties. Here, we chose Gd<sup>3+</sup> with a moderate ionic radius as the acceptor ion and Ta<sup>5+</sup> as the donor, preparing (Gd<sub>0.5</sub>Ta<sub>0.5</sub>)<sub>0.01</sub>Ti<sub>0.99</sub>O<sub>2</sub> single crystals by the optical traveling floating zone method to investigate giant dielectric properties. It was found that a dielectric constant (<em>ε</em>′ ∼1.5 × 10<sup>4</sup>), and a dielectric loss (tanδ ∼ 0.07) were achieved simultaneously in (Gd<sub>0.5</sub>Ta<sub>0.5</sub>)<sub>0.01</sub>Ti<sub>0.99</sub>O<sub>2</sub> single crystals at 10<sup>5</sup>Hz. Electrochemical impedance spectroscopy and XPS analyses indicate that the high dielectric properties are mainly attributed to electrons pinning defective dipoles clusters. In addition, dielectric relaxation behavior under DC bias suggests that electrode effects also affect the dielectric constant. This study provides insights for the origin of the large dielectric constant and the growth of single crystals in TiO<sub>2</sub>-based materials.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"650 ","pages":"Article 127990"},"PeriodicalIF":1.7,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652416","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":"High-quality InAs homoepitaxial layers grown by molecular beam epitaxy","authors":"Hao Zhou , Yiqiao Chen , Chang Liu","doi":"10.1016/j.jcrysgro.2024.127989","DOIUrl":"10.1016/j.jcrysgro.2024.127989","url":null,"abstract":"<div><div>The growth conditions for InAs homoepitaxy by molecular beam epitaxy were comprehensively studied across a broad spectrum of substrate temperatures, As2/In flux ratios, and growth rates. It was found that the surface morphology and overall quality of the InAs layers were significantly influenced by these parameters. Optimal conditions, including a lower growth temperature, reduced As2 flux, and slower growth rate, were pivotal in achieving high-quality InAs layers. Two primary characterization techniques, differential interference contrast microscopy and atomic force microscopy, were employed to evaluate the material quality. High-quality InAs homoepitaxial layers were successfully grown at a substrate temperature of 455 °C and a growth rate of 0.33 monolayers per second (ML/s). These layers exhibited a remarkably low defect density of approximately 300 defects per square centimeter, which is over an order of magnitude lower than previously reported, and a notably low root-mean-square roughness of 0.116 nm. At a growth rate of 0.33 ML/s, the growth temperature range for InAs homoepitaxial layers was found to be quite broad, whereas the As2/In flux ratio remained within a narrow range. This study underscores the critical role of precise control over growth parameters in the molecular beam epitaxy process for producing high-quality InAs homoepitaxial layers.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"650 ","pages":"Article 127989"},"PeriodicalIF":1.7,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652461","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}
Souhaila Meneceur , Salah Eddine Laouini , Hamdi Ali Mohammed , Abderrhmane Bouafia , Chaima Salmi , Johar Amin Ahmed Abdullah , Fahad Alharthi
{"title":"Eco-Friendly ZnO/CuO/Ni Nanocomposites: Enhanced photocatalytic dye adsorption and hydrogen evolution for sustainable energy and water purification","authors":"Souhaila Meneceur , Salah Eddine Laouini , Hamdi Ali Mohammed , Abderrhmane Bouafia , Chaima Salmi , Johar Amin Ahmed Abdullah , Fahad Alharthi","doi":"10.1016/j.jcrysgro.2024.127984","DOIUrl":"10.1016/j.jcrysgro.2024.127984","url":null,"abstract":"<div><div>Nanomaterials and nanocomposites, known for their unique properties, are increasingly vital in diverse fields such as energy and environmental remediation. This study presents biogenically synthesized ZnO/CuO/Ni nanocomposites using <em>Mentha Pulegium L.</em> leaf extract. The investigation focuses on their applications in photocatalytic dye adsorption and hydrogen evolution. Characterization via XRD, FTIR spectroscopy, SEM, and UV–visible spectroscopy confirms the nanocomposites’ semiconducting nature with a narrow bandgap energy of 2.46 eV. Structural analysis reveals cubic crystal structures with an average crystallite size of 29.1 nm. Under solar irradiation, the nanocomposites exhibit exceptional photocatalytic activity, degrading 99 % of 4-BP and 98 % of TB. Moreover, they achieve a notable hydrogen evolution rate of 5.79 mmol/g over six hours. These results underscore the efficacy of ZnO/CuO/Ni nanocomposites as catalysts for sustainable energy and water purification. Employing <em>Mentha Pulegium L.</em> extract for environmentally friendly synthesis enhances their photocatalytic properties, offering a cost-effective route to sustainable energy and clean water technologies.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"650 ","pages":"Article 127984"},"PeriodicalIF":1.7,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652459","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":"Advances in defect characterization techniques using polarized light observation in SiC wafers for power devices","authors":"Shunta Harada , Kenta Murayama","doi":"10.1016/j.jcrysgro.2024.127982","DOIUrl":"10.1016/j.jcrysgro.2024.127982","url":null,"abstract":"<div><div>This short review provides an overview of advancements in the characterization of defects in silicon carbide (SiC) wafers using polarized light observation. SiC, which has a wide bandgap and excellent thermal and electrical properties, is widely used in power devices. However, various defects such as threading screw dislocations (TSD), threading edge dislocations (TED), and basal plane dislocations (BPD) can significantly affect device performance and reliability. Polarized light observation offers a nondestructive method for visualizing these defects and analyzing the stress fields induced within the SiC crystal structure. This paper summarizes recent developments in this technique, including the application of analyzer rotation to enhance the contrast in defect visualization. Furthermore, the development of automated systems for rapid wafer evaluation is discussed, highlighting the role of polarized light observation in improving quality control and production efficiency in SiC power device manufacturing.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"650 ","pages":"Article 127982"},"PeriodicalIF":1.7,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"“Catalyzed” nucleation: A critical review of proposed theories","authors":"Rasmus A.X. Persson","doi":"10.1016/j.jcrysgro.2024.127973","DOIUrl":"10.1016/j.jcrysgro.2024.127973","url":null,"abstract":"<div><div>In industrial-scale crystallization, secondary nucleation is the most important type of nucleation. In most cases, this phenomenon can be adequately explained as the result of mechanical forces that break existing crystallites apart, the strength of the effect being a smooth function of supersaturation and stirring vigor. However, in some special cases, crystallites of other polymorphs appear and/or no nucleation occurs except at a catastrophic rate above a supersaturation threshold, mimicking primary nucleation. In this paper, we review published theories for this latter type of secondary nucleation, for which we find contradicting explanations in the literature. We divide these explanations into two broad classes, depending on whether the secondary nucleation is mediated through local deviations of the bulk thermodynamic state variables (indirect effects) or directly through the interaction energy of the surface and growth units (direct effects). We argue that theoretical explanations of the second type are insufficient and while we can find no conclusive and theoretically consistent explanation for this well-established experimental phenomenon, it is hoped that this review will stimulate further research into this puzzle.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"650 ","pages":"Article 127973"},"PeriodicalIF":1.7,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652414","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}
Amin Hamed Mashhadzadeh , Maryam Zarghami Dehaghani , Haris Doumanidis , Boris Golman , Konstantinos V. Kostas , Christos Spitas
{"title":"Microstructural evolution and crystalline behavior in silicon carbide nano-powder during selective laser melting: A molecular dynamics simulation","authors":"Amin Hamed Mashhadzadeh , Maryam Zarghami Dehaghani , Haris Doumanidis , Boris Golman , Konstantinos V. Kostas , Christos Spitas","doi":"10.1016/j.jcrysgro.2024.127985","DOIUrl":"10.1016/j.jcrysgro.2024.127985","url":null,"abstract":"<div><div>Silicon carbide (SiC), with its isotropic three-dimensional diamond lattice structure, emerges as a promising candidate for SiC device production through selective laser melting (SLM). The appeal lies in its simplified fabrication process, coupled with outstanding thermal properties, high hardness, and remarkable wear resistance. This potential of SiC in SLM not only streamlines the fabrication process but also harnesses the exceptional properties inherent in SiC. In this study, we utilized molecular dynamics (MD) simulations to model the SLM process. A nanopowder bed made up of approximately half a million atoms of SiC was simulated as a two-layer quasi-2D system. Controlled heating of SiC meltpools, slightly surpassing the melting temperature, facilitated the monitored coalescence of nano-powders, resulting in successful melting and the formation of continuous domains within the meltpools. The observed reduction in crystalline structures is due to the elevated thermal energy imparted to the SiC atoms during the heating process, which disrupts the atomic arrangement and leads to a transition from crystalline to amorphous states. The subsequent solidification process, characterized by a high cooling rate, led to the establishment of final amorphous solidified domains. Looking ahead, our research aims to delve into exploring the structural and functional characteristics of the produced SiC devices, evaluating their potential applications across diverse technological domains.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"650 ","pages":"Article 127985"},"PeriodicalIF":1.7,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652413","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}
Hisashi Yamada , Tokio Takahashi , Takahiro Gotow , Naoto Kumagai , Tetsuji Shimizu , Toshihide Ide , Tatsuro Maeda
{"title":"Ammonia-free quasi-atmospheric MOCVD of InN/Al2O3 (0001)","authors":"Hisashi Yamada , Tokio Takahashi , Takahiro Gotow , Naoto Kumagai , Tetsuji Shimizu , Toshihide Ide , Tatsuro Maeda","doi":"10.1016/j.jcrysgro.2024.127980","DOIUrl":"10.1016/j.jcrysgro.2024.127980","url":null,"abstract":"<div><div>We demonstrate ammonia-free quasi-atmospheric metal–organic chemical vapor deposition (AFQA-MOCVD) of InN grown on <em>c</em>-plane sapphire (Al<sub>2</sub>O<sub>3</sub>) substrate using high-density nitrogen (N<sub>2</sub>) microstrip-line microwave plasma. Dependence of growth temperature (T<sub>g</sub>) and N<sub>2</sub> plasma power on structural properties were examined. Increasing T<sub>g</sub> and N<sub>2</sub> plasma power markedly improved surface morphology of InN. An atomically smooth surface with layer-by-layer growth mode was realized at T<sub>g</sub> of 750 °C under N<sub>2</sub> plasma power of 80 W. Fully strain-relaxed InN was grown on in-plane crystal rotation by 30° with respect to the Al<sub>2</sub>O<sub>3</sub> (0001). N-polar InN on Al<sub>2</sub>O<sub>3</sub> (0001) was revealed by scanning transmission electron microscopy. AFQA-MOCVD enables to expand growth windows by increasing T<sub>g</sub> and V/III ratio compared to the standard MOCVD using NH<sub>3</sub>.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"650 ","pages":"Article 127980"},"PeriodicalIF":1.7,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652417","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}