Fundamental Material Properties Research Articles

Recent Advanced Ultra‐Wide Bandgap β‐Ga2O3 Material and Device Technologies

AbstractGallium oxide (Ga2O3) is an emerging ultra‐wide bandgap (UWBG) semiconductor material that has gained significant attention in the field of high voltage and high frequency power electronics. Its noteworthy attributes include a large bandgap (Eg) of 4.8 eV, high theoretical critical breakdown field strength (EC) of 8 MV cm−1, and saturation velocity (νs) of 2 × 107 cm s−1, as well as high Baliga figures of merit (BFOM) of 3000. In addition, Ga2O3 has the advantages of large‐size substrates that can be achieved by low‐cost melt‐grown techniques. This review provides a partial overview of pivotal milestones and recent advancements in the Ga2O3 material growth and device performance. It begins with a discussion of the fundamental material properties of Ga2O3, followed by a description of substrate growth and epitaxial techniques for Ga2O3. Subsequently, the contact technologies between Ga2O3 and other materials are fully elucidated. Moreover, this article also culminates with a detailed analysis of Ga2O3‐based high voltage and high frequency power devices. Some challenges and solutions, such as the lack of p‐type doping, low thermal conductivity, and low mobility are also presented and investigated in this review.

Controlled Self-Assembly of Nanoscale Superstructures in Phase-Change Ge-Sb-Te Nanowires.

Controlled growth of semiconductor nanowires with atomic precision offers the potential to tune the material properties for integration into scalable functional devices. Despite significant progress in understanding the nanowire growth mechanism, definitive control over atomic positions of its constituents, structure, and morphology via self-assembly remains challenging. Here, we demonstrate an exquisite control over synthesis of cation-ordered nanoscale superstructures in Ge-Sb-Te nanowires with the ability to deterministically vary the nanowire growth direction, crystal facets, and periodicity of cation ordering by tuning the relative precursor flux during synthesis. Furthermore, the role of anisotropy on material properties in cation-ordered nanowire superstructures is illustrated by fabricating phase-change memory (PCM) devices, which show significantly different growth direction dependent amorphization current density. This level of control in synthesizing chemically ordered nanoscale superstructures holds potential to precisely modulate fundamental material properties such as the electronic and thermal transport, which may have implications for PCM, thermoelectrics, and other nanoelectronic devices.

Impact of meteorological data factors and material characterization method on the predictions of leading edge erosion of wind turbine blades

Leading edge erosion of wind turbine blades is a major contributor to wind farm energy yield losses and maintenance costs. Presented is a multidisciplinary framework for predicting rain erosion lifetimes of wind turbine blades. Key aim is assessing the sensitivity of lifetime predictions to: modeling aspects (material erosion model, blade aerodynamics), input data and/or their preprocessing (joint frequency distribution of wind speed and droplet size based on synchronous site-specific measurements versus frequency distribution generated with partly site-agnostic modeling standards, wind speed records of nacelle anemometer or extrapolated at hub height from met masts), and environmental conditions (UV weathering). The analyses consider a Northwest England onshore site where a utility-scale turbine is operational, focus on a reference 5 MW turbine assumed operational at the site, and use a typical leading edge coating material. It is found that the largest variations in erosion lifetime predictions are due to material erosion model (based on rain erosion test data or fundamental material properties) and wind and rain model (measurement-based joint wind speed and droplet size distribution or standard-based modeled distribution). The use of joint wind and rain distribution also enables identifying wind/rain states with highest erosion potential, knowledge paramount to deploying erosion-safe turbine control.

Observation of negative surface and interface energies of quantum dots

Surface energy is a fundamental property of materials and is particularly important in describing nanomaterials where atoms or molecules at the surface constitute a large fraction of the material. Traditionally, surface energy is considered to be a positive quantity, where atoms or molecules at the surface are less thermodynamically stable than their counterparts in the interior of the material because they have fewer bonds or interactions at the surface. Using calorimetric methods, we show that the surface energy is negative in some prototypical colloidal semiconductor nanocrystals, or quantum dots with organic ligand coatings. This implies that the surface atoms are more thermodynamically stable than those on the interior due to the strong bonds between these atoms and surfactant molecules, or ligands, that coat their surface. In addition, we extend this work to core/shell indium phosphide/zinc sulfide nanocrystals and show that the interfacial energy between these materials is highly thermodynamically favorable in spite of their large lattice mismatch. This work challenges many of the assumptions that have guided thinking about colloidal nanomaterial thermodynamics, investigates the fundamental stability of many technologically relevant colloidal nanomaterials, and paves the way for future experimental and theoretical work on nanocrystal thermodynamics.

Spatially correlated stress-photoluminescence evolution in GaN/AlN multi-quantum wells

In the manufacture of semiconductor devices, cracking of heterostructures has been recognized as a major obstacle for their post-growth processing. In this work, we explore cracked GaN/AlN multi-quantum wells (MQWs) to study the influence of pressure on the recombination energy of the photoluminescence (PL) from the polar GaN QWs. We grow GaN/AlN MQWs on a GaN(0001)/sapphire template, which provides 2.4% tensile strain for epitaxial AlN. This strain relaxes through the generation and propagation of cracks, resulting in a final inhomogeneous distribution of stress throughout the film. The crack-induced strain variation investigated by micro-Raman spectroscopy and X-ray diffraction mapping revealed a correlation between the spacing of the cracks and the amount of strain between them. We have developed a 2D model that allows us to calculate the spatial variation of the in-plane strain in the GaN and AlN layers. The measured values of compressive in-plane strain in the GaN QWs vary from -0.4 % away from cracks, to -0.7 % near cracks. PL from the GaN QWs exhibits a clear correlation to the varying strain resulting in an energy shift of ∼ 140 meV. As a result, we can experimentally calculate a pressure coefficient of PL energy of ∼ -60.4 meV/GPa for the ∼ 7 nm thick polar GaN QWs. This agrees well with the previously predicted theoretical results by Kaminska et al. in 2016 [DOI: 10.1063/1.4962282], which were demonstrated to break down for such wide QWs. We will discuss this difference with respect to the reduction in both the expected point defects and extended defects resulting from not doping and growth on a GaN template, respectively. As a result, our work indicates that cracks can be utilized for investigating some fundamental material properties related to strain effects.

Wet and dry etching of ultrawide bandgap LiGa5O8 and LiGaO2

Crystalline thin films of LiGa5O8 have recently been realized through epitaxial growth via mist-chemical vapor deposition. The single crystal, spinel cubic LiGa5O8 films show promising fundamental material properties and, therefore, make LiGa5O8 a potential enabling material for power electronics. In this work, chemical resistance and etch susceptibility were investigated for the first time on crystalline LiGa5O8 thin films with various wet chemistries. It was found that LiGa5O8 is very chemically resistive to acid solutions, with no apparent etching effects observed when placed in concentrated acid solutions of HCl, H2SO4, HF, or H3PO4 at room temperature. In contrast, orthorhombic (010) LiGaO2 shows effective etching in HCl solutions at varying dilution concentrations, with etch rates measured between 8.6 [1000:1 (DI water: HCl concentration)] and 6092 nm/min (37 wt. % HCl). The inductively coupled plasma reactive ion etching (ICP-RIE) of LiGa5O8 using BCl3/Ar and CF4/Ar/O2 gas chemistries was investigated. The etching rate and surface morphology of etched surfaces were examined as a function of RIE and ICP power. Using a CF4/Ar/O2 gas chemistry with an RIE power of 75 W and an ICP power of 300 W resulted in smooth etched planar surfaces while maintaining an etch rate of ∼24.6 nm/min. Similar dry etching studies were performed for LiGaO2. It was found that the BCl3/Ar gas chemistry was better suited for LiGaO2 etching, with similar surface morphology quality being obtained after etching as prior etching when a RIE power of 15 W and an ICP power of 400 W is utilized.

Investigating the Effects of Mixing Dynamics on Twin-Screw Granule Quality Attributes via the Development of a Physics-Based Process Map.

Twin-screw granulation (TSG) is an emerging continuous wet granulation technique that has not been widely applied in the industry due to a poor mechanistic understanding of the process. This study focuses on improving this mechanistic understanding by analyzing the effects of the mixing dynamics on the granule quality attributes (PSD, content uniformity, and microstructure). Mixing is an important dynamic process that simultaneously occurs along with the granulation rate mechanisms during the wet granulation process. An improved mechanistic understanding was achieved by identifying and quantifying the physically relevant intermediate parameters that affect the mixing dynamics in TSG, and then their effects on the granule attributes were analyzed by investigating their effects on the granulation rate mechanisms. The fill level, granule liquid saturation, extent of nucleation, and powder wettability were found to be the key physically relevant intermediate parameters that affect the mixing inside the twin-screw granulator. An improved geometrical model for the fill level was developed and validated against existing experimental data. Finally, a process map was developed to depict the effects of mixing on the temporal and spatial evolution of the materials inside the twin-screw granulator. This process map illustrates the mechanism of nucleation and the growth of the granules based on the fundamental material properties of the primary powders (solubility and wettability), liquid binders (viscosity), and mixing dynamics present in the system. Furthermore, it was shown that the process map can be used to predict the granule product quality based on the granule growth mechanism.

Size Dependent Specific Heat Capacity of PbSe Nanocrystals.

Specific heat capacity is one of the most fundamental thermodynamic properties of materials. In this work, we measured the specific heat capacity of PbSe nanocrystals with diameters ranging from 5 to 23 nm, and its value increases significantly from 0.2 to 0.6 J g-1 °C-1. We propose a mass assignment model to describe the specific heat capacity of nanocrystals, which divides it into four parts: electron, inner, surface, and ligand. By eliminating the contribution of ligand and electron specific heat capacity, the specific heat capacity of the inorganic core is linearly proportional to its surface-to-volume ratio, showing the size dependence. Based on this linear relationship, surface specific heat capacity accounts for 40-60% of the specific heat capacity of nanocrystals with size decreasing. It can be attributed to the uncoordinated surface atoms, which is evidenced by the appearance of extra surface phonons in Raman spectra and ab initio molecular dynamics (AIMD) simulations.

Synthesis of shape-programmable elastomer for a bioresorbable, wireless nerve stimulator

Materials that have the ability to manipulate shapes in response to stimuli such as heat, light, humidity and magnetism offer a means for versatile, sophisticated functions in soft robotics or biomedical implants, while such a reactive transformation has certain drawbacks including high operating temperatures, inherent rigidity and biological hazard. Herein, we introduce biodegradable, self-adhesive, shape-transformable poly (L-lactide-co-ε-caprolactone) (BSS-PLCL) that can be triggered via thermal stimulation near physiological temperature (∼38 °C). Chemical inspections confirm the fundamental properties of the synthetic materials in diverse aspects, and study on mechanical and biochemical characteristics validates exceptional stretchability up to 800 % and tunable dissolution behaviors under biological conditions. The integration of the functional polymer with a bioresorbable electronic system highlights potential for a wide range of biomedical applications.

Design and Development of Transient Sensing Devices for Healthcare Applications.

With the ever-growing requirements in the healthcare sector aimed at personalized diagnostics and treatment, continuous and real-time monitoring of relevant parameters is gaining significant traction. In many applications, health status monitoring may be carried out by dedicated wearable or implantable sensing devices only within a defined period and followed by sensor removal without additional risks for the patient. At the same time, disposal of the increasing number of conventional portable electronic devices with short life cycles raises serious environmental concerns due to the dangerous accumulation of electronic and chemical waste. An attractive solution to address these complex and contradictory demands is offered by biodegradable sensing devices. Such devices may be able to perform required tests within a programmed period and then disappear by safe resorption in the body or harmless degradation in the environment. This work critically assesses the design and development concepts related to biodegradable and bioresorbable sensors for healthcare applications. Different aspects are comprehensively addressed, from fundamental material properties and sensing principles to application-tailored designs, fabrication techniques, and device implementations. The emerging approaches spanning the last 5 years are emphasized and a broad insight into the most important challenges and future perspectives of biodegradable sensors in healthcare are provided.

Single-Shot Laser-Induced Switching of an Exchange Biased Antiferromagnet.

Ultrafast manipulation of magnetic order has challenged the understanding of the fundamental and dynamic properties of magnetic materials. So far single-shot magnetic switching has been limited to ferrimagnetic alloys, multilayers, and designed ferromagnetic (FM) heterostructures. In FM/antiferromagnetic (AFM) bilayers, exchange bias (He ) arises from the interfacial exchange coupling between the two layers and reflects the microscopic orientation of the antiferromagnet. Here the possibility of single-shot switching of the antiferromagnet (change of the sign and amplitude of He ) with a single femtosecond laser pulse in IrMn/CoGd bilayers is demonstrated. The manipulation is demonstrated in a wide range of fluences for different layer thicknesses and compositions. Atomistic simulations predict ultrafast switching and recovery of the AFM magnetization on a timescale of 2 ps. The results provide the fastest and the most energy-efficient method to set the exchange bias and pave the way to potential applications for ultrafast spintronic devices.

Study of dielectric polarization and electrical transport in Bi1·2Sb0·8Te0·4Se2.6 nanofilms

Studying the dielectric response of topological insulators (TIs) can unveil their unique physical mechanisms such as charge transport and spin-orbit coupling effects. However, due to the manifestation of material's topological nature and band structure primarily in nanofilm, such thickness poses challenges for dielectric testing. To date, research on TI dielectric aspects remains relatively unexplored. Therefore, this paper successfully synthesizes nanofilm of quaternary topological insulator Bi1·2Sb0·8Te0·4Se2.6 (BSTS) using laser molecular beam epitaxy (LMBE) technique. Utilizing a wide-frequency dielectric spectrometer and a comprehensive physical properties measurement system (PPMS), we measured and thoroughly analyzed the dielectric polarization and charge transport characteristics of BSTS. We observed various polarization responses in the frequency range of 101–103 Hz, with the dipole orientation gradually failing to keep pace with the frequency increase in the range of 103–105 Hz, and the relaxation polarization unable to establish itself in the range of 105–107 Hz, with polarization primarily contributed by displacement polarization. Subsequently, we further analyzed the dependence of BSTS dielectric polarization response on temperature and film thickness, which will help reveal the influence of external factors on TI dielectric response, providing crucial insights for controlling TI materials' dielectric response. This not only deepens our understanding of the fundamental physical properties of this novel material but also offers important scientific basis and technological support for its applications in quantum computing, photonics, spintronics, and other fields.

Growth, Structure, and Electrical Properties of AgNbO3 Antiferroelectric Single Crystal

AgNbO3 (AN) lead-free antiferroelectric material has attracted great attention in recent years. However, little focus has been directed toward a single crystal that can provide more basic information. In this study, we successfully grew high-quality AN single crystals, using a flux method, with dimensions of 5 × 5 × 3 mm3. A systematic investigation into the crystal structure, domain structure, and electrical properties of a [001]-oriented AN single crystal was conducted. X-ray diffraction and domain structure analysis revealed an orthorhombic phase structure at room temperature. Stripe-like 90° domains aligning parallel to the [110] direction with a thickness of approximately 10–20 μm were observed using a polarized light microscope. The temperature dependence of dielectric permittivity showed M1-M2, M2-M3, and M3-O phase transitions along with increasing temperature, but the phase transition temperatures were slightly higher than those of ceramic. The AN single crystal also exhibited double polarization-electric field (P-E) hysteresis loops, which enabled good recoverable energy-storage density and efficiency comparable to ceramic. Additionally, double P-E loops were kept stable at various temperatures and frequencies, demonstrating robust stability and confirming typical antiferroelectric characteristics. Our work provides valuable insights into understanding the fundamental antiferroelectric properties of AN-based materials.

Opportunities and challenges of the nitride coatings for artificial implants: A review

With the continuous development of the economy and society, exacerbated by the growing challenges of an aging population, the demand for orthopedic implants has witnessed a considerable surge. To enhance the performance and lifespan of these implants, the deposition coating on their surfaces has emerged as a pivotal measure. Among the various coating options, nitride coatings have gained prominence due to their exceptional comprehensive properties and application in surface modification for orthopedic implants. This paper presents a succinct overview of the evolutionary trajectory and fundamental properties of materials employed in implants. It traces the progression from inert materials in the early stages to the second and third generations characterized by bioactivity (biodegradability), and currently, the fourth generation featuring bio-gene materials. Subsequently, a meticulous review delves into the detailed application of nitride coatings in the realm of implants, encompassing critical aspects such as mechanics, tribology, corrosion resistance, antibacterial properties, and biological responses. In conclusion, the article offers insightful perspectives on the future of implant coatings. It serves as a valuable reference for researchers engaged in nitride material studies and bio-coating research, providing a rapid and comprehensive understanding of the current research status surrounding nitride coatings for implants.

Efficient machine learning-assisted failure analysis method for circuit-level defect prediction

Integral to the success of transistor advancements is the accurate use of failure analysis (FA) which benefits in fine-tuning and optimization of the fabrication processes. However, the chip makers face several FA challenges as device sizes, structure, and material complexities scale dramatically. To sustain manufacturability, one can accelerate defect identification at all steps of the chip processing and design. On the other hand, as technologies scale below the nanometer nodes, devices are more sensitive to unavoidable process-induced variability. Therefore, metallic defects and process-induced variability need to be treated concurrently in the context of chip scaling, while failure diagnostic methods to decouple the effects should be developed. Indeed, the locating a defective component from thousands of circuits in a microchip in the presence of variability is a tedious task. This work shows how the SPICE circuit simulations coupled with machine learning based-physical modeling should be effectively used to tackle such a problem for a 6T-SRAM bit cell. An automatic bridge defect recognition system for such a circuit is devised by training a predictive model on simulation data. For feature descriptors of the model, the symmetry of the circuit and a fundamental material property are leveraged: metals (semiconductors) have a positive (negative) temperature coefficient of resistance up to a certain voltage range. Then, this work successfully demonstrates that how a defective circuit is identified along with its defective component's position with approximately 99.5 % accuracy. This proposed solution should greatly help to accelerate the production process of the integrated circuits.

Study of nanoindentation behavior of NiCrCoAl medium entropy alloys under indentation process using molecular dynamics

Abstract The mechanical properties and deformation behavior of CoCrNiAl medium entropy alloy (MEA) subjected to indentation by an indenter tooltip on the substrate are explored using molecular dynamics (MD) simulation. The study investigates the effects of alloy compositions, temperature variations, and ultra vibration (UV) on parameters, such as total force, shear strain, shear stress, hardness, reduced modulus, substrate temperature, phase transformation, dislocation length, and elastic recovery. The findings indicate that higher alloy compositions result in increased total force, hardness, and reduced modulus, with Ni-rich compositions demonstrating superior mechanical strength. Conversely, increasing alloy compositions lead to reduced von Mises stress (VMS), phase transformation, dislocation distribution, and dislocation length due to the larger atomic size of Ni compared to other primary elements. At elevated substrate temperatures, atoms exhibit larger vibration amplitudes and interatomic separations, leading to weaker atomic bonding and decreased contact force, rendering the substrate softer at higher temperatures. Additionally, higher initial substrate temperatures enhance atom kinetic energy and thermal vibrations, leading to reduced material hardness and increased VMS levels. Increasing vibration frequency enlarges the indentation area on the substrate’s surface, concentrating shear strain and VMS with vibration frequency. Higher vibration amplitude and frequency amplify force, shear strain, VMS, substrate temperature, and dislocation distribution. Conversely, lower vibration amplitude and frequency result in a smaller average elastic recovery ratio. Moreover, increased amplitude and frequency values yield an amorphous-dominated indentation region and increased proportions of hexagonal close-packed and body-centered cubic structures. Furthermore, this study also takes into account the evaluation of a material’s ability to recover elastically during the indentation process, which is a fundamental material property.

Electric Field Measurement Techniques And Their Practical Applications

Static, quasi-static and low frequency electric fields are being used in many fields of science and engineering. They are utilized in research studies of fundamental properties of materials, exploration of high-energy physics, in biology and medicine, etc., but also in a multitude of practical applications such as precipitation, painting, xerography, to name a few. In all these endeavors it is a good practice to find out what the electric fields are in terms of value, direction, and temporal and spatial distribution. This information can be crucial for making the application successful. Electric fields are also being created by many naturally occurring and man-made phenomena. The aim of this paper is to present different options for electric field evaluation and measurement. Aside from traditional approaches, new concepts using machine learning in electric field assessment and interpretation are discussed. As technologies progress, electric field detection methods become a part of sensor fusion realm by providing additional capabilities in process, environmental and situational awareness monitoring. They can provide unique information enhancing our knowledge and understanding. Examples of such sensor integrations are shown and explained.

Application-Driven High-Thermal-Conductivity Polymer Nanocomposites.

Polymer nanocomposites combine the merits of polymer matrices and the unusual effects of nanoscale reinforcements and have been recognized as important members of the material family. Being a fundamental material property, thermal conductivity directly affects the molding and processing of materials as well as the design and performance of devices and systems. Polymer nanocomposites have been used in numerous industrial fields; thus, high demands are placed on the thermal conductivity feature of polymer nanocomposites. In this Perspective, we first provide roadmaps for the development of polymer nanocomposites with isotropic, in-plane, and through-plane high thermal conductivities, demonstrating the great effect of nanoscale reinforcements on thermal conductivity enhancement of polymer nanocomposites. Then the significance of the thermal conductivity of polymer nanocomposites in different application fields, including wearable electronics, thermal interface materials, battery thermal management, dielectric capacitors, electrical equipment, solar thermal energy storage, biomedical applications, carbon dioxide capture, and radiative cooling, are highlighted. In future research, we should continue to focus on methods that can further improve the thermal conductivity of polymer nanocomposites. On the other hand, we should pay more attention to the synergistic improvement of the thermal conductivity and other properties of polymer nanocomposites. Emerging polymer nanocomposites with high thermal conductivity should be based on application-oriented research.

Magnetoresistive-coupled transistor using the Weyl semimetal NbP

Semiconductor transistors operate by modulating the charge carrier concentration of a channel material through an electric field coupled by a capacitor. This mechanism is constrained by the fundamental transport physics and material properties of such devices—attenuation of the electric field, and limited mobility and charge carrier density in semiconductor channels. In this work, we demonstrate a new type of transistor that operates through a different mechanism. The channel material is a Weyl semimetal, NbP, whose resistivity is modulated via a magnetic field generated by an integrated superconductor. Due to the exceptionally large electron mobility of this material, which reaches over 1,000,000 cm2/Vs, and the strong magnetoresistive coupling, the transistor can generate significant transconductance amplification at nanowatt levels of power. This type of device can enable new low-power amplifiers, suitable for qubit readout operation in quantum computers.

Skyrmion lattice formation and destruction mechanisms probed with TR-SANS.

Magnetic skyrmions are topologically protected, nanoscale whirls of the spin configuration that tend to form hexagonally ordered arrays. As a topologically non-trivial structure, the nucleation and annihilation of the skyrmion, as well as the interaction between skyrmions, varies from conventional magnetic systems. Recent works have suggested that the ordering kinetics in these materials occur over millisecond or longer timescales, which is unusually slow for magnetic dynamics. The current work investigates the skyrmion ordering kinetics, particularly during lattice formation and destruction, using time-resolved small angle neutron scattering (TR-SANS). Evaluating the time-resolved structure and intensity of the neutron diffraction pattern reveals the evolving real-space structure of the skyrmion lattice and the timeframe of the formation. Measurements were performed on three prototypical skyrmion materials: MnSi, (Fe,Co)Si, and Cu2OSeO3. To probe lattice formation and destruction kinetics, the systems were prepared in the stable skyrmion state, and then a square-wave magnetic field modulation was applied. The measurements show that the skyrmions quickly form ordered domains, with a significant distribution in lattice parameters, which then converge to the final structure; the results confirm the slow kinetics, with formation times between 10 ms and 99 ms. Comparisons are made between the measured formation times and the fundamental material properties, suggesting the ordering temperature, saturation magnetization and magnetocrystalline anisotropy may be driving the timeframes. Micromagnetic simulations were also performed and support a scaling of the kinetics with sample volume, a behavior which is caused by the reconciling of misaligned domains.