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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Enhancement-mode operation of multilayer MoS{sub 2} transistors with a fluoropolymer gate dielectric layer

Enhancement-mode multilayer molybdenum disulfide (MoS{sub 2}) field-effect transistors (FETs), which are an immensely important component toward low-power electronics based on a two-dimensional layered semiconductor, are demonstrated using the fluoropolymer CYTOP as a gate dielectric. The fabricated devices exhibit threshold voltage (V{sub TH}) of ∼5.7 V with field-effect mobility (μ{sub FE}) of up to 82.3 cm{sup 2}/V s, and the characteristics are compared with the depletion-mode characteristics of MoS{sub 2} FETs with the cross-linked Poly(4-vinylphenol) gate dielectric (V{sub TH} ∼ −7.8 V). UV photoelectron spectroscopy analysis indicates that increased surface potential due to the surface dipole effect of the fluorine group influences the positive V{sub TH} shift.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Adaptive smart simulator for characterization and MPPT construction of PV array

Partial shading conditions are among the most important problems in large photovoltaic array. Many works of literature are interested in modeling, control and optimization of photovoltaic conversion of solar energy under partial shading conditions, The aim of this study is to build a software simulator similar to hard simulator and to produce a shading pattern of the proposed photovoltaic array in order to use the delivered information to obtain an optimal configuration of the PV array and construct MPPT algorithm. Graphical user interfaces (Matlab GUI) are built using a developed script, this tool is easy to use, simple, and has a rapid of responsiveness, the simulator supports large array simulations that can be interfaced with MPPT and power electronic converters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Sequential control of step-bunching during graphene growth on SiC (0001)

We have investigated the relation between the step-bunching and graphene growth phenomena on an SiC substrate. We found that only a minimum amount of step-bunching occurred during the graphene growth process with a high heating rate. On the other hand, a large amount of step-bunching occurred using a slow heating process. These results indicated that we can control the degree of step-bunching during graphene growth by controlling the heating rate. We also found that graphene coverage suppressed step bunching, which is an effective methodology not only in the graphene technology but also in the SiC-based power electronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial and heteroepitaxial n-GaN [Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial n-GaN]

Here, inherent advantages of wide bandgap materials make GaN-based devices attractive for power electronics and applications in radiation environments. Recent advances in the availability of wafer-scale, bulk GaN substrates have enabled the production of high quality, low defect density GaN devices, but fundamental studies of carrier transport and radiation hardness in such devices are lacking. Here, we report measurements of the hole diffusion length in low threading dislocation density (TDD), homoepitaxial n-GaN, and high TDD heteroepitaxial n-GaN Schottky diodes before and after irradiation with 2.5 MeV protons at fluences of 4–6 × 10 13 protons/cm 2 . We also characterize the specimens before and after irradiation using electron beam-induced-current (EBIC) imaging, cathodoluminescence, deep level optical spectroscopy (DLOS), steady-state photocapacitance, and lighted capacitance-voltage (LCV) techniques. We observe a substantial reduction in the hole diffusion length following irradiation (50%–55%) and the introduction of electrically active defects which could be attributed to gallium vacancies and associated complexes (V Ga -related), carbon impurities (C-related), and gallium interstitials (Ga i ). EBIC imaging suggests long-range migration and clustering of radiation-induced point defects over distances of ~500 nm, which suggests mobile Ga i . Following irradiation, DLOS and LCV reveal the introduction of a prominent optical energy level at 1.9 eV below the conduction band edge, consistent with the introduction of Ga i .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

On compensation in Si-doped AlN

Controllable n-type doping over wide ranges of carrier concentrations in AlN, or Al-rich AlGaN, is critical to realizing next-generation applications in high-power electronics and deep UV light sources. Silicon is not a hydrogenic donor in AlN as it is in GaN; despite this, the carrier concentration should be controllable, albeit less efficiently, by increasing the donor concentration during growth. At low doping levels, an increase in the Si content leads to a commensurate increase in free electrons. Problematically, this trend does not persist to higher doping levels. In fact, a further increase in the Si concentration leads to a decrease in free electron concentration; this is commonly referred to as the compensation knee. While the nature of this decrease has been attributed to a variety of compensating defects, the mechanism and identity of the predominant defects associated with the knee have not been conclusively determined. Density functional theory calculations using hybrid exchange-correlation functionals have identified V Al + n Si Al complexes as central to mechanistically understanding compensation in the high Si limit in AlN, while secondary impurities and vacancies tend to dominate compensation in the low Si limit. The formation energies and optical signatures of these defects in AlN are calculated and utilized in a grand canonical charge balance solver to identify carrier concentrations as a function of Si content. The results were found to qualitatively reproduce the experimentally observed compensation knee. Furthermore, these calculations predict a shift in the optical emissions present in the high and low doping limits, which is confirmed with detailed photoluminescence measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Nanoscale groove textured β -Ga 2 O 3 by room temperature inverse metal-assisted chemical etching and photodiodes with enhanced responsivity

β-Ga 2 O 3 is an emerging wide band-gap semiconductor that holds great promise for next generation power electronics and optoelectronics. β-Ga 2 O 3 based ultraviolet photodetectors have been the subject of active research for the last few years. However, no micro and nanostructure surface texturing has been demonstrated for efficient light management in β-Ga 2 O 3 optoelectronic applications yet. We hereby present nanoscale groove textured β-Ga 2 O 3 metal-semiconductor-metal photodiodes, enabled by the unique metal-assisted chemical etching (MacEtch) method at room temperature in liquid. Although the textured surface stoichiometry shows ~10% oxygen deficiency which results in a reduced Schottky barrier height and increased dark current, clear enhancement of the responsivity is demonstrated, compared to the planar untreated surface. Overall, the realization of MacEtch's applicability to β-Ga 2 O 3 opens the door for producing more sophisticated device structures for this material, without resorting to conventional dry etch and potential damage.

42 ENGINEERING↗
DOE OSTI2019

Deep acceptors and their diffusion in Ga 2 O 3

β–Ga2O 3 is a wide-bandgap material with promising applications in high-power electronics. While n-type doping is straightforward, p-type doping is elusive, with only deep acceptors available. We explore the properties of these acceptors, from the point of view of achieving stable semi-insulating layers, which are essential in many device structures. Using hybrid density functional theory, we obtain the comprehensive first-principles results for a variety of deep-acceptor impurities in Ga 2 O 3 . Among the impurities examined, nitrogen on an oxygen site and magnesium on a gallium site have particularly low formation energies, making them prime candidates for acceptor doping. Closer inspection of various configurations shows that Mg can incorporate not only on Ga sites (where it acts as a deep acceptor under n-type conditions) but also on O sites, where it acts as a deep donor. Mg interstitials adopt a split-interstitial configuration, sharing a site with a host Ga atom. Similarly, N substituting on an O site acts as a compensating center, but N can also incorporate on the Ga site. We evaluate the diffusivities of these species in the crystal by calculating migration barriers and considering which native defects assist in diffusion. We find that diffusion of N is dominantly assisted by O vacancies, while Mg diffusion is assisted by gallium interstitials. Diffusion of Mg proceeds with significantly lower activation energies than diffusion of N. Our results can be used to assess activation energies and diffusion mechanisms for other impurities in Ga 2 O 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2019

Thermal conductivity of crystalline AlN and the influence of atomic-scale defects

Aluminum nitride (AlN) plays a key role in modern power electronics and deep-ultraviolet photonics, where an understanding of its thermal properties is essential. In this work, we measure the thermal conductivity of crystalline AlN by the 3 ω method, finding that it ranges from 674 ± 56 Wm –1 K –1 at 100 K to 186 ± 7 Wm –1 K –1 at 400 K, with a value of 237 ± 6 Wm –1 K –1 at room temperature. We compare these data with analytical models and first-principles calculations, taking into account atomic-scale defects (O, Si, C impurities, and Al vacancies). We find that Al vacancies play the greatest role in reducing thermal conductivity because of the largest mass-difference scattering. Modeling also reveals that 10% of heat conduction is contributed by phonons with long mean free paths (MFPs), over ~7 μ m at room temperature, and 50% by phonons with MFPs over ~0.3 μ m. Consequently, the effective thermal conductivity of AlN is strongly reduced in submicrometer thin films or devices due to phonon-boundary scattering.

42 ENGINEERING↗
DOE OSTI2019

Thermal expansion coefficients of high thermal conducting BAs and BP materials

Recently reported very high thermal conductivities in cubic boron arsenide (BAs) and boron phosphide (BP) crystals could potentially provide a revolutionary solution in the thermal management of high power density devices. To fully facilitate such an application, the compatible coefficient of thermal expansion (CTE) between the heat spreader and the device substrate, in order to minimize the thermal stress, needs to be considered. Here, we report our experimental CTE studies of BAs and BP in the temperature range from 100 K to 1150 K, through a combination of X-ray single crystal diffraction and neutron powder diffraction. Here, we demonstrated that the room temperature CTEs, 3.6 ± 0.15 × 10 –6 /K for BAs and 3.2 ± 0.2 × 10 –6 /K for BP, are more compatible with most of the semiconductors including Si and GaAs, in comparison with diamond, and thus could be better candidates for the future heat spreader materials in power electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Iridium-related complexes in Czochralski-grown β-Ga 2 O 3

Gallium oxide is a promising semiconductor for its potential as a material in the field of power electronics. The effects of iridium impurities on undoped, Mg-doped, and Ca-doped gallium oxides were investigated with IR spectroscopy. In undoped and Ca-doped β-Ga 2 O 3 , IR peaks at 3313, 3450, and 3500 cm -1 are tentatively assigned to O–H bond-stretching modes of IrH complexes. Mg-, Ca-, and Fe-doped samples show an Ir 4+ electronic transition feature at 5148 cm -1 . By measuring the strength of this feature vs photoexcitation, the Ir 3+/4+ donor level was determined to lie 2.2–2.3 eV below the conduction band minimum. Ga 2 O 3 :Mg also has a range of sidebands between 5100 and 5200 cm -1 , attributed to IrMg pairs. Polarized IR measurements show that the 5248 cm -1 peak is anisotropic, weakest for light polarized along the c axis, consistent with Lenyk et al. [J. Appl. Phys. 125, 045703 (2019)].

36 MATERIALS SCIENCE↗
DOE OSTI2020

New approaches for achieving more perfect transition metal oxide thin films

This perspective considers the enormous promise of epitaxial functional transition metal oxide thin films for future applications in low power electronic and energy applications since they offer wide-ranging and highly tunable functionalities and multifunctionalities, unrivaled among other classes of materials. It also considers the great challenges that must be overcome for transition metal oxide thin films to meet what is needed in the application domain. These challenges arise from the presence of intrinsic defects and strain effects, which lead to extrinsic defects. Current conventional thin film deposition routes often cannot deliver the required perfection and performance. Since there is a strong link between the physical properties, defects and strain, routes to achieving more perfect materials need to be studied. Several emerging methods and modifications of current methods are presented and discussed. The reasons these methods better address the perfection challenge are considered and evaluated.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Flow boiling in geometrically modified microchannels

Microchannels are a promising solution for high-heat-flux thermal management scenarios, including high-performance microelectronics cooling and power electronics cooling. However, thermohydraulic instabilities result from the rapid vapor bubble formation. The prior literature has examined several methods, including constricted inlet microchannels, expanding microchannels, and auxiliary jetting microchannels, to mitigate the effect of these instabilities. Computational fluid dynamics and heat transfer (CFD/HT) modeling of the flow boiling phenomena in these microchannel configurations has seen limited examination, and one-to-one numerical comparisons of the different mitigation strategies have not been performed. In the present investigation, CFD/HT analyses using a three-dimensional (3D) volume of fluid model coupled with a phase-change model for the interfacial heat and mass transfer were performed for multiple microchannel configurations (constricted inlet, expanding, and auxiliary jetting microchannels). A benchmark case of a rectangular microchannel was examined to quantify baseline thermohydraulic performance. Results demonstrated slight to significant thermal performance improvements for all cases, and significant pressure benefits for the expanding and jetting cases, consistent with experimental results in the literature. Bubble dynamics and visualization for the baseline and alternative configurations are provided to give insight into their underlying physics, and the differences in performance were investigated and compared with available literature.

Broughton, Justin (ORCID:000000026848457X)↗
DOE OSTI2022

Epitaxial Sc x Al 1- x N on GaN exhibits attractive high-K dielectric properties

Epitaxial Sc x Al 1- x N thin films of ~100 nm thickness grown on metal polar GaN substrates are found to exhibit significantly enhanced relative dielectric permittivity (ε r ) values relative to AlN. ε r values of ~17–21 for Sc mole fractions of 17%–25% ( x = 0.17–0.25) measured electrically by capacitance–voltage measurements indicate that Sc x Al 1- x N has the largest relative dielectric permittivity of any existing nitride material. Since epitaxial Sc x Al 1- x N layers deposited on GaN also exhibit large polarization discontinuity, the heterojunction can exploit the in situ high-K dielectric property to extend transistor operation for power electronics and high-speed microwave applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

GaN-on-GaN p-i-n diodes with avalanche capability enabled by eliminating surface leakage with hydrogen plasma treatment

Traditional mesa terminations require precise angle design to reduce the electric field at the edge and surface treatment to reduce etch damage. Otherwise, the device usually suffers a premature breakdown. This work proposes the use of easy-to-implement hydrogen plasma treatment to solve the premature breakdown caused by mesa and demonstrates the avalanche capability in GaN-on-GaN p-i-n diodes. The breakdown electric field when the avalanche occurred was ∼2.3 MV/cm at room temperature for a GaN drift layer with a doping concentration of ∼7 × 1015 cm−3, which is consistent with the theoretical value. The temperature coefficient of the avalanche breakdown voltage of the devices was 4.64–4.85 × 10−4 K−1. This work shows a simple and effective approach to achieve avalanche capability in vertical GaN power devices, which can serve as an important reference for the future development of efficient and robust GaN power electronics.

Fu, Kai (ORCID:0000000294057512)↗
DOE OSTI2023

Defect-mediated diffusion of implanted Mg in GaN: Suppressing dopant redistribution by sequential thermal and microwave annealing

The diffusion behavior of Mg in Mg/N co-implanted GaN is investigated in response to a set of annealing conditions and methodologies, namely, 1000 °C/30 min thermal anneal, by high-temperature pulsed gyrotron microwave annealing at 1420 or 1500 °C, or by thermal and microwave annealing, sequentially. After 1000 °C annealing, the diffusion of Mg in GaN is found to be negligible, as measured by secondary ion mass spectrometry. Annealing by gyrotron microwave annealing alone induces the diffusion of Mg at a rate on the order of 10 −12 cm 2 /s. However, the use of a thermal anneal before microwave gyrotron annealing reduces this rate by an order of magnitude to 10 −13 cm 2 /s. We find that a model that considers Mg diffusion from an inhomogeneous medium that contains a defect-rich implanted region near-surface to a relatively pristine region below the implant range better explains the observed diffusion behavior than a conventional model that assumes a homogeneous medium. By analyzing the diffusion behavior using the Boltzmann–Matano method, we present a discussion of reduction in [V Ga ] by thermal annealing at 1000 °C, leading to a suppressed diffusion coefficient during subsequent high-temperature annealing relative to diffusion after 1420/1500 °C annealing alone. This effect holds potential for improvement in the precision of selectively doped regions for future applications based on the (Al)GaN material system. An improved field profile control in real devices can increase the breakdown and current-handling capabilities in power electronic applications.

Meyers, V.↗
DOE OSTI2023

Theoretical upper limits of the thermal conductivity of Si3N4

Silicon nitride (Si3N4) is a promising substrate for high-power electronics due to its superior mechanical properties and potential outstanding thermal conductivity (κ). As experiments keep pushing the upper limit of κ of Si3N4, it is believed that it can reach 450 W/mK, similar to SiC, based on classical models and molecular dynamics simulations. In this work, we reveal from first principles that the theoretical κ upper limits of β-Si3N4 are only 169 and 57 W/mK along the c and a axes at room temperature, respectively. Those of α-Si3N4 are about 116 and 87 W/mK, respectively. The predicted temperature-dependent κ matches well with the highest available experimental data, which supports the accuracy of our calculations, and suggests that the κ upper limit of Si3N4 has already been reached in the experiment. Compared to other promising semiconductors (e.g., SiC, AlN, and GaN), Si3N4 has a much lower κ than expected even though the chemical bonding and mechanical strengths are close or even stronger. We find the underlying reason is that Si3N4 has much lower phonon lifetimes and mean free paths (<0.5 μm) due to the larger three-phonon scattering phase space and stronger anharmonicity. Interestingly, we find that the larger unit cell (with more basis atoms) that leads to a smaller fraction of acoustic phonons is not the reason for lower κ. Grain size-dependent κ indicates that the grain boundary scattering plays a negligible role in most experimental samples. This work clarifies the theoretical κ upper limits of Si3N4 and can guide experimental research.

Physics↗
DOE OSTI2023

Probing and controlling oxygen impurity diffusion in h -BN semi-bulk crystals

Combining its unique features of ultrawide bandgap (UWBG) and two-dimensional nature, h-BN has been explored for emerging applications such as deep ultraviolet optoelectronic devices and single photon emitters. One of the unusual applications of h-BN is for solid-state neutron detectors by utilizing the property of high thermal neutron capture cross section of B-10 as well as its UWBG properties. Although a record high detection efficiency of 59% has been attained by h-BN detectors, the understanding/minimization of defects and impurities is still needed to further advance the h-BN material and detector technologies. We report metal organic chemical vapor deposition growth and oxygen (O) impurity diffusion in thick h-BN. The diffusion coefficient (D) of O impurities has been measured via the evolution of an oxygen related emission with the etching depth, providing a value of D of ∼ 2 × 10−13 cm2/s at 1450 °C and supporting the interpretation that oxygen in h-BN is a substitutional donor. A multiple-buffer-layer approach was employed to mitigate to a certain degree the issue of oxygen diffusion from sapphire substrate during growth. It was demonstrated that the performance of h-BN neutron detectors fabricated from the wafer incorporating multiple buffer layers was significantly improved, as manifested by the enhanced thermal neutron detection efficiency. The advancement of the crystal growth technology of h-BN semi-bulk crystals creates applications in optoelectronic and power electronic devices utilizing the UWBG semiconductor properties of h-BN, while high efficiency h-BN neutron detectors have the potential to supplant the traditional He-3 gas detectors in various application areas by offering the obvious advantages of UWBG semiconductor technologies.

Physics↗
DOE OSTI2024

Status of h-BN quasi-bulk crystals and high efficiency neutron detectors

III-nitrides have fomented a revolution in the lighting industry and are poised to make a huge impact in the field of power electronics. In the III-nitride family, the crystal growth and use of hexagonal BN (h-BN) as an ultrawide bandgap (UWBG) semiconductor are much less developed. Bulk crystals of h-BN produced by the high-temperature/high-pressure and the metal flux solution methods possess very high crystalline and optical qualities but are impractical to serve as substrates or for device implementation as their sizes are typically in millimeters. The development of crystal growth technologies for producing thick epitaxial films (or quasi-bulk or semi-bulk crystals) in large wafer sizes with high crystalline quality is a prerequisite for utilizing h-BN as an UWBG electronic material. Compared to traditional III-nitrides, BN has another unique application as solid-state neutron detectors, which however, also require the development of quasi-bulk crystals to provide high detection efficiencies because the theoretical efficiency (ηi) relates to the detector thickness (d) by ηi=1−e−dλ, where λ denotes the thermal neutron absorption length which is 47 μm (237 μm) for 10B-enriched (natural) h-BN. We provide an overview and recent progress toward the development of h-BN quasi-bulk crystals via hydride vapor phase epitaxy (HVPE) growth and the attainment of thermal neutron detectors based on 100 μm thick 10B-enriched h-BN with a record efficiency of 60%. The thermal neutron detection efficiency was shown to enhance at elevated temperatures. Benchmarking the crystalline and optical qualities of h-BN quasi-bulk crystals with the state-of-the-art mm-sized bulk crystal flakes and 0.5 μm thick epitaxial films identified that reducing the density of native defects such as vacancies remains the most critical task for h-BN quasi-bulk crystal growth by HVPE.

Physics↗