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Keywords = III-V nitride compounds

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25 pages, 6559 KiB  
Article
Exploring New Nitrogen-Rich Compounds: Hybrid First-Principle Calculations and Machine-Learning Algorithms
by Hang Zhou, Jie Wu, Jiangtao Yang and Qingyang Fan
Crystals 2025, 15(3), 225; https://doi.org/10.3390/cryst15030225 - 27 Feb 2025
Viewed by 519
Abstract
The third-generation semiconductors have the characteristics of a large bandgap, a high breakdown electric field, a fast electron saturation rate, high-temperature resistance, corrosion resistance, and radiation resistance, making them the preferred core materials and devices for cutting-edge high-tech fields, such as mobile communication, [...] Read more.
The third-generation semiconductors have the characteristics of a large bandgap, a high breakdown electric field, a fast electron saturation rate, high-temperature resistance, corrosion resistance, and radiation resistance, making them the preferred core materials and devices for cutting-edge high-tech fields, such as mobile communication, new energy vehicles, and smart grids in the future. The III–V compound semiconductors are a typical representative of them. In order to discover and explore new III–V semiconductor materials more efficiently and accurately, this paper adopts a machine-learning method optimized by the beetle algorithm and combined with first-principle calculation verification to efficiently and accurately predict the performance of III–V nitride materials and study their physicochemical properties. This study improved the prediction efficiency of nitrogen-rich III–V semiconductor materials through the combination of machine learning and first principles, providing a new approach for the efficient and accurate prediction of semiconductor materials. Full article
(This article belongs to the Section Hybrid and Composite Crystalline Materials)
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36 pages, 6509 KiB  
Review
Hydrostatic Pressure as a Tool for the Study of Semiconductor Properties—An Example of III–V Nitrides
by Iza Gorczyca, Tadek Suski, Piotr Perlin, Izabella Grzegory, Agata Kaminska and Grzegorz Staszczak
Materials 2024, 17(16), 4022; https://doi.org/10.3390/ma17164022 - 13 Aug 2024
Cited by 2 | Viewed by 1515
Abstract
Using the example of III–V nitrides crystallizing in a wurtzite structure (GaN, AlN, and InN), this review presents the special role of hydrostatic pressure in studying semiconductor properties. Starting with a brief description of high-pressure techniques for growing bulk crystals of nitride compounds, [...] Read more.
Using the example of III–V nitrides crystallizing in a wurtzite structure (GaN, AlN, and InN), this review presents the special role of hydrostatic pressure in studying semiconductor properties. Starting with a brief description of high-pressure techniques for growing bulk crystals of nitride compounds, we focus on the use of hydrostatic pressure techniques in both experimental and theoretical investigations of the special properties of nitride compounds, their alloys, and quantum structures. The bandgap pressure coefficient is one of the most important parameters in semiconductor physics. Trends in its behavior in nitride structures, together with trends in pressure-induced phase transitions, are discussed in the context of the behavior of other typical semiconductors. Using InN as an example, the pressure-dependent effects typical of very narrow bandgap materials, such as conduction band filling or effective mass behavior, are described. Interesting aspects of bandgap bowing in In-containing nitride alloys, including pressure and clustering effects, are discussed. Hydrostatic pressure also plays an important role in the study of native defects and impurities, as illustrated by the example of nitride compounds and their quantum structures. Experiments and theoretical studies on this topic are reviewed. Special attention is given to hydrostatic pressure and strain effects in short periods of nitride superlattices. The explanation of the discrepancies between theory and experiment in optical emission and its pressure dependence from InN/GaN superlattices led to the well-documented conclusion that InN growth on the GaN substrate is not possible. The built-in electric field present in InGaN/GaN and AlGaN/GaN heterostructures crystallizing in a wurtzite lattice can reach several MV/cm, leading to drastic changes in the physical properties of these structures and related devices. It is shown how hydrostatic pressure modifies these effects and helps to understand their origin. Full article
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15 pages, 4219 KiB  
Article
Synthesis and Characterization of Vanadium Nitride/Carbon Nanocomposites
by Helia Magali Morales, Horacio Vieyra, David A. Sanchez, Elizabeth M. Fletes, Michael Odlyzko, Timothy P. Lodge, Victoria Padilla-Gainza, Mataz Alcoutlabi and Jason G. Parsons
Int. J. Mol. Sci. 2024, 25(13), 6952; https://doi.org/10.3390/ijms25136952 - 25 Jun 2024
Cited by 6 | Viewed by 2406
Abstract
The present work focuses on the synthesis of a vanadium nitride (VN)/carbon nanocomposite material via the thermal decomposition of vanadyl phthalocyanine (VOPC). The morphology and chemical structure of the synthesized compounds were characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy [...] Read more.
The present work focuses on the synthesis of a vanadium nitride (VN)/carbon nanocomposite material via the thermal decomposition of vanadyl phthalocyanine (VOPC). The morphology and chemical structure of the synthesized compounds were characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS), Fourier transformed infrared spectroscopy (FTIR), X-ray diffraction (XRD), and X-ray photoemission spectroscopy (XPS). The successful syntheses of the VOPC and non-metalated phthalocyanine (H2PC) precursors were confirmed using FTIR and XRD. The VN particles present a needle-like morphology in the VN synthesized by the sol-gel method. The morphology of the VN/C composite material exhibited small clusters of VN particles. The XRD analysis of the thermally decomposed VOPC indicated a mixture of amorphous carbon and VN nanoparticles (VN(TD)) with a cubic structure in the space group FM-3M consistent with that of VN. The XPS results confirmed the presence of V(III)-N bonds in the resultant material, indicating the formation of a VN/C nanocomposite. The VN/C nanocomposite synthesized through thermal decomposition exhibited a high carbon content and a cluster-like distribution of VN particles. The VN/C nanocomposite was used as an anode material in LIBs, which delivered a specific capacity of 307 mAh g−1 after 100 cycles and an excellent Coulombic efficiency of 99.8 at the 100th cycle. Full article
(This article belongs to the Special Issue Advances in Electrochemistry of Metal Nanomaterials)
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44 pages, 5425 KiB  
Review
Shaking Things from the Ground-Up: A Systematic Overview of the Mechanochemistry of Hard and High-Melting Inorganic Materials
by Thomas Auvray and Tomislav Friščić
Molecules 2023, 28(2), 897; https://doi.org/10.3390/molecules28020897 - 16 Jan 2023
Cited by 14 | Viewed by 5072
Abstract
We provide a systematic overview of the mechanochemical reactions of inorganic solids, notably simple binary compounds, such as oxides, nitrides, carbides, sulphides, phosphides, hydrides, borides, borane derivatives, and related systems. Whereas the solid state has been traditionally considered to be of little synthetic [...] Read more.
We provide a systematic overview of the mechanochemical reactions of inorganic solids, notably simple binary compounds, such as oxides, nitrides, carbides, sulphides, phosphides, hydrides, borides, borane derivatives, and related systems. Whereas the solid state has been traditionally considered to be of little synthetic value by the broader community of synthetic chemists, the solid-state community, and in particular researchers focusing on the reactions of inorganic materials, have thrived in building a rich and dynamic research field based on mechanically-driven transformations of inorganic substances typically seen as inert and high-melting. This review provides an insight into the chemical richness of such mechanochemical reactions and, at the same time, offers their tentative categorisation based on transformation type, resulting in seven distinct groupings: (i) the formation of adducts, (ii) the reactions of dehydration; (iii) oxidation–reduction (redox) reactions; (iv) metathesis (or exchange) reactions; (v) doping and structural rearrangements, including reactions involving the reaction vessel (the milling jar); (vi) acid–base reactions, and (vii) other, mixed type reactions. At the same time, we offer a parallel description of inorganic mechanochemical reactions depending on the reaction conditions, as those that: (i) take place under mild conditions (e.g., manual grinding using a mortar and a pestle); (ii) proceed gradually under mechanical milling; (iii) are self-sustained and initiated by mechanical milling, i.e., mechanically induced self-propagating reactions (MSRs); and (iv) proceed only via harsh grinding and are a result of chemical reactivity under strongly non-equilibrium conditions. By elaborating on typical examples and general principles in the mechanochemistry of hard and high-melting substances, this review provides a suitable complement to the existing literature, focusing on the properties and mechanochemical reactions of inorganic solids, such as nanomaterials and catalysts. Full article
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24 pages, 6198 KiB  
Review
Hexagonal Boron Nitride on III–V Compounds: A Review of the Synthesis and Applications
by Yufei Yang, Yi Peng, Muhammad Farooq Saleem, Ziqian Chen and Wenhong Sun
Materials 2022, 15(13), 4396; https://doi.org/10.3390/ma15134396 - 22 Jun 2022
Cited by 32 | Viewed by 4945
Abstract
Since the successful separation of graphene from its bulk counterpart, two-dimensional (2D) layered materials have become the focus of research for their exceptional properties. The layered hexagonal boron nitride (h-BN), for instance, offers good lubricity, electrical insulation, corrosion resistance, and chemical stability. In [...] Read more.
Since the successful separation of graphene from its bulk counterpart, two-dimensional (2D) layered materials have become the focus of research for their exceptional properties. The layered hexagonal boron nitride (h-BN), for instance, offers good lubricity, electrical insulation, corrosion resistance, and chemical stability. In recent years, the wide-band-gap layered h-BN has been recognized for its broad application prospects in neutron detection and quantum information processing. In addition, it has become very important in the field of 2D crystals and van der Waals heterostructures due to its versatility as a substrate, encapsulation layer, and a tunneling barrier layer for various device applications. However, due to the poor adhesion between h-BN and substrate and its high preparation temperature, it is very difficult to prepare large-area and denseh-BN films. Therefore, the controllable synthesis of h-BN films has been the focus of research in recent years. In this paper, the preparation methods and applications of h-BN films on III–V compounds are systematically summarized, and the prospects are discussed. Full article
(This article belongs to the Special Issue Semiconductor Optoelectronic Materials and Devices)
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13 pages, 1390 KiB  
Article
Detecting the Knowledge Domains of Compound Semiconductors
by Qian-Yo Lee, Chiyang James Chou, Ming-Xuan Lee and Yen-Chun Lee
Micromachines 2022, 13(3), 476; https://doi.org/10.3390/mi13030476 - 20 Mar 2022
Cited by 2 | Viewed by 2882
Abstract
The development of compound semiconductors (CS) has received extensive attention worldwide. This study aimed to detect and visualize CS knowledge domains for quantifying CS research patterns and emerging trends through a scientometric review based on the literature between 2011 and 2020 by using [...] Read more.
The development of compound semiconductors (CS) has received extensive attention worldwide. This study aimed to detect and visualize CS knowledge domains for quantifying CS research patterns and emerging trends through a scientometric review based on the literature between 2011 and 2020 by using CiteSpace. The combined dataset of 24,622 bibliographic records were collected through topic searches and citation expansion to ensure adequate coverage of the field. While research in “solar cell” and “perovskite tandem” appears to be the two most distinctive knowledge domains in the CS field, research related to thermoelectric materials has grown at a respectable pace. Most notably, the deep connections between “thermoelectric material” and “III-Sb nanowire (NW)” research have been demonstrated. A rapid adaptation of black phosphorus (BP) field-effect transistors (FETs) and gallium nitride (GaN) transistors in the CS field is also apparent. Innovative strategies have focused on the opto-electronics with engineered functionalities, the design, synthesis and fabrication of perovskite tandem solar cells, the growing techniques of Sb-based III–V NWs, and the thermal conductivity of boron arsenide (BAs). This study revealed how the development trends and research areas in the CS field advance over time, which greatly help us to realize its knowledge domains. Full article
(This article belongs to the Special Issue Feature Papers of Micromachines in Materials and Processing 2021)
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13 pages, 3793 KiB  
Article
Effects of Thermal Annealing on Optical Properties of Be-Implanted GaN Thin Films by Spectroscopic Ellipsometry
by Wenwang Wei, Jiabin Wang, Yao Liu, Yi Peng, Mudassar Maraj, Biaolin Peng, Yukun Wang and Wenhong Sun
Crystals 2020, 10(6), 439; https://doi.org/10.3390/cryst10060439 - 30 May 2020
Cited by 10 | Viewed by 4375
Abstract
Wide bandgap III-V compounds are the key materials for the fabrication of short-wavelength optical devices and have important applications in optical displays, optical storage devices and optical communication systems. Herein, the variable-angle spectroscopic ellipsometry (SE) measurements are performed to investigate the thickness and [...] Read more.
Wide bandgap III-V compounds are the key materials for the fabrication of short-wavelength optical devices and have important applications in optical displays, optical storage devices and optical communication systems. Herein, the variable-angle spectroscopic ellipsometry (SE) measurements are performed to investigate the thickness and optical properties of beryllium-implanted gallium nitride thin films that have been deposited on (0001) sapphire substrates by using low-pressure metalorganic chemical vapor deposition (LPMOCVD). The film layer details are described by using Parametric Semiconductor oscillators and Gaussian oscillators in the wavelength range of 200–1600 nm. The thickness, refractive indices and extinction coefficients of the Be-implanted films are determined at room temperature. Analysis of the absorption coefficient shows that the optical absorption edge of Be-implanted films changes from 3.328 eV to 3.083 eV in the temperature range of 300–850 K. With the variable temperature, Eg is demonstrated to follow the formula of Varshni. A dual-beam ultraviolet–visible spectrophotometer (UV–VIS) is used to study the crystal quality of samples, indicating that the quality of rapid thermal annealing (RTA) sample is better than that unannealed sample. By transport of ions in matter (TRIM) simulation and SE fitting the depths of Be implanted gallium nitride (GaN) films are estimated and in good agreement. The surface and cross-section morphologies are characterized by atomic force microscopy (AFM) and scanning electron microscope (SEM), respectively. The surface morphologies and thickness measurements of the samples show that RTA can improve crystal quality, while increasing the thickness of the surface roughness layer due to partial surface decomposition in the process of thermal annealing. Full article
(This article belongs to the Special Issue Advances in Thin Film Materials and Devices)
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14 pages, 7580 KiB  
Article
Physical Properties of XN (X = B, Al, Ga, In) in the Pm3n phase: First-Principles Calculations
by Qidong Zhang, Yucong Zou, Qingyang Fan and Yintang Yang
Materials 2020, 13(6), 1280; https://doi.org/10.3390/ma13061280 - 12 Mar 2020
Cited by 33 | Viewed by 4788
Abstract
Three direct semiconductor materials and one indirect semiconductor material, Pm−3n XN (X = B, Al, Ga, In), are investigated in our work, employing density functional theory (DFT), where the structural properties, stability, elastic properties, elastic anisotropy properties and electronic properties are [...] Read more.
Three direct semiconductor materials and one indirect semiconductor material, Pm−3n XN (X = B, Al, Ga, In), are investigated in our work, employing density functional theory (DFT), where the structural properties, stability, elastic properties, elastic anisotropy properties and electronic properties are included. The shear modulus G and bulk modulus B of Pm−3n BN are 290 GPa and 244 GPa, respectively, which are slightly less than the values of B and G for c-BN and Pnma BN, while they are larger than those of C64 in the I41/amd phase. The shear modulus of Pm−3n BN is the greatest, and the shear modulus of C64 in the I41/amd phase is the smallest. The Debye temperatures of BN, AlN, GaN and InN are 1571, 793, 515 and 242 K, respectively, using the elastic modulus formula. AlN has the largest anisotropy in the Young’s modulus, shear modulus, and Poisson‘s ratio; BN has the smallest elastic anisotropy in G; and InN has the smallest elastic anisotropy in the Poisson’s ratio. Pm−3n BN, AlN, GaN and InN have the smallest elastic anisotropy along the (111) direction, and the elastic anisotropy of the E in the (100) (010) (001) planes and in the (011) (101) (110) planes is the same. The shear modulus and Poisson’s ratio of BN, AlN, GaN and InN in the Pm−3n phase in the (001), (010), (100), (111), (101), (110), and (011) planes are the same. In addition, AlN, GaN and InN all have direct band-gaps and can be used as a semiconductor within the HSE06 hybrid functional. Full article
(This article belongs to the Section Electronic Materials)
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22 pages, 5101 KiB  
Review
Free-Standing Self-Assemblies of Gallium Nitride Nanoparticles: A Review
by Yucheng Lan, Jianye Li, Winnie Wong-Ng, Rola M. Derbeshi, Jiang Li and Abdellah Lisfi
Micromachines 2016, 7(9), 121; https://doi.org/10.3390/mi7090121 - 23 Aug 2016
Cited by 9 | Viewed by 7061
Abstract
Gallium nitride (GaN) is an III-V semiconductor with a direct band-gap of 3 . 4 e V . GaN has important potentials in white light-emitting diodes, blue lasers, and field effect transistors because of its super thermal stability and excellent optical properties, playing [...] Read more.
Gallium nitride (GaN) is an III-V semiconductor with a direct band-gap of 3 . 4 e V . GaN has important potentials in white light-emitting diodes, blue lasers, and field effect transistors because of its super thermal stability and excellent optical properties, playing main roles in future lighting to reduce energy cost and sensors to resist radiations. GaN nanomaterials inherit bulk properties of the compound while possess novel photoelectric properties of nanomaterials. The review focuses on self-assemblies of GaN nanoparticles without templates, growth mechanisms of self-assemblies, and potential applications of the assembled nanostructures on renewable energy. Full article
(This article belongs to the Special Issue Building by Self-Assembly)
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24 pages, 743 KiB  
Review
Polymer-Derived Boron Nitride: A Review on the Chemistry, Shaping and Ceramic Conversion of Borazine Derivatives
by Samuel Bernard and Philippe Miele
Materials 2014, 7(11), 7436-7459; https://doi.org/10.3390/ma7117436 - 21 Nov 2014
Cited by 84 | Viewed by 15384
Abstract
Boron nitride (BN) is a III-V compound which is the focus of important research since its discovery in the early 19th century. BN is electronic to carbon and thus, in the same way that carbon exists as graphite, BN exists in the hexagonal [...] Read more.
Boron nitride (BN) is a III-V compound which is the focus of important research since its discovery in the early 19th century. BN is electronic to carbon and thus, in the same way that carbon exists as graphite, BN exists in the hexagonal phase. The latter offers an unusual combination of properties that cannot be found in any other ceramics. However, these properties closely depend on the synthesis processes. This review states the recent developments in the preparation of BN through the chemistry, shaping and ceramic conversion of borazine derivatives. This concept denoted as Polymer-Derived Ceramics (PDCs) route allows tailoring the chemistry of precursors to elaborate complex BN shapes which cannot be obtained by conventional process. The effect of the chemistry of the molecular precursors, i.e., borazine and trichloroborazine, and their polymeric derivatives i.e., polyborazylene and poly[tri(methylamino)borazine], in which the specific functional groups and structural motifs determine the shaping potential by conventional liquid-phase process and plastic-forming techniques is discussed. Nanotubes, nano-fibers, coatings, monoliths and fiber-reinforced matrix composites are especially described. This leads to materials which are of significant engineering interest. Full article
(This article belongs to the Special Issue Compound Semiconductor Materials 2014)
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