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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Deterministic fabrication of graphene hexagonal boron nitride moiré superlattices

The electronic properties of moiré heterostructures depend sensitively on the relative orientation between layers of the stack. For example, near-magic-angle twisted bilayer graphene (TBG) commonly shows superconductivity, yet a TBG sample with one of the graphene layers rotationally aligned to a hexagonal Boron Nitride (hBN) cladding layer provided experimental observation of orbital ferromagnetism. To create samples with aligned graphene/hBN, researchers often align edges of exfoliated flakes that appear straight in optical micrographs. However, graphene or hBN can cleave along either zig-zag or armchair lattice directions, introducing a 30° ambiguity in the relative orientation of two flakes. By characterizing the crystal lattice orientation of exfoliated flakes prior to stacking using Raman and second-harmonic generation for graphene and hBN, respectively, we unambiguously align monolayer graphene to hBN at a near-0°, not 30°, relative twist angle. We confirm this alignment by torsional force microscopy of the graphene/hBN moiré on an open-face stack, and then by cryogenic transport measurements, after full encapsulation with a second, nonaligned hBN layer. This work demonstrates a key step toward systematically exploring the effects of the relative twist angle between dissimilar materials within moiré heterostructures.

boron nitride↗
DOE OSTI2025

Thermophysical Properties of a Uranium Nitride–Molybdenum-Tungsten Composite Fuel for Nuclear Thermal Propulsion

The thermal conductivity of a ceramic-metal composite consisting of 60 vol % uranium nitride incorporated into a molybdenum-tungsten matrix has been measured up to a temperature of 1200°C. Compositing nuclear fuel with refractory materials is considered a viable way to improve the thermal and mechanical properties of fuels, and more recently, has been investigated as a way to improve hydrogen compatibility in a nuclear thermal propulsion rocket reactor. Here, we demonstrate that high-density composites can be produced from direct current sintering and that the resulting thermal conductivity is improved compared to the pure.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2012

Radial elasticity of multi-walled boron nitride nanotubes

We investigated the radial mechanical properties of multi-walled boron nitride nanotubes (MW-BNNTs) using atomic force microscopy. The employed MW-BNNTs were synthesized using pressurized vapor/condenser (PVC) methods and were dispersed in aqueous solution using ultrasonication methods with the aid of ionic surfactants. Our nanomechanical measurements reveal the elastic deformational behaviors of individual BNNTs with two to four tube walls in their transverse directions. Their effective radial elastic moduli were obtained through interpreting their measured radial deformation profiles using Hertzian contact mechanics models. Our results capture the dependences of the effective radial moduli of MW-BNNTs on both the tube outer diameter and the number of tube layers. The effective radial moduli of double-walled BNNTs are found to be several-fold higher than those of single-walled BNNTs within the same diameter range. Our work contributes directly to a complete understanding of the fundamental structural and mechanical properties of BNNTs and the pursuits of their novel structural and electronics applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

MEMS switching of contour-mode aluminum nitride resonators for switchable and reconfigurable radio frequency filters

Switching of transducer coupling in aluminum nitride contour-mode resonators provides an enabling technology for future tunable and reconfigurable filters for multi-function RF systems. By using microelectromechanical capacitive switches to realize the transducer electrode fingers, coupling between the metal electrode finger and the piezoelectric material is modulated to change the response of the device. On/off switched width extensional resonators with an area of <0.2 mm 2 demonstrate a Q of 2000, K 2 of 0.72, and >24 dB switching ratio at a resonator center frequency of 635 MHz. As a result, other device examples include a 63 MHz resonator with switchable impedance and a 470 MHz resonator with 127 kHz of fine center frequency tuning accomplished by mass loading of the resonator with the MEMS switches.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Local residual stress monitoring of aluminum nitride MEMS using UV micro-Raman spectroscopy

Localized stress variation in aluminum nitride (AlN) sputtered on patterned metallization has been monitored through the use of UV micro-Raman spectroscopy. This technique utilizing 325 nm laser excitation allows detection of the AlN E2(high) phonon mode in the presence of metal electrodes beneath the AlN layer with a high spatial resolution of less than 400 nm. The AlN film stress shifted 400 MPa from regions where AlN was deposited over a bottom metal electrode versus silicon dioxide. Thus, across wafer stress variations were also investigated showing that wafer level stress metrology, for example using wafer curvature measurements, introduces large uncertainties for predicting the impact of AlN residual stress on the device performance.

42 ENGINEERING↗
DOE OSTI2018

Method for controlling stress gradients in PVD aluminum nitride

In this study we describe a method for controlling both the residual stress and the through-thickness stress gradient of aluminum nitride (AlN) thin films using a multi-step deposition process that varies the applied radio frequency (RF) substrate bias. The relationship between the applied RF substrate bias and the AlN residual stress is characterized using AlN films grown on oxidized silicon substrates is determined using 100 nm–1.5 μm thick blanket AlN films that are deposited with 60–100 W applied RF biases; the stress-bias relationship is found to be well described using a power law relationship. Using this relationship, we develop a model for varying the RF bias in a series of discrete deposition steps such that each deposition step has zero average stress. The applied RF bias power in these steps is tailored to produce AlN films that have minimized both the residual stress and the film stress gradient. AlN cantilevers were patterned from films deposited using this technique, which show reduced curvature compared to those deposited using a single RF bias setting, indicating a reduction of the stress gradient in the films.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Influence of electrical field on the susceptibility of gallium nitride transistors to proton irradiation

Radiation susceptibility of electronic devices is commonly studied as a function of radiation energetics and device physics. Often overlooked is the presence or magnitude of the electrical field, which we hypothesize to play an influential role in low energy radiation. Accordingly, we present a comprehensive study of low-energy proton irradiation on gallium nitride high electron mobility transistors (HEMTs), turning the transistor ON or OFF during irradiation. Commercially available GaN HEMTs were exposed to 300 keV proton irradiation at fluences varying from 3.76 × 10 12 to 3.76 × 10 14 cm 2 , and the electrical performance was evaluated in terms of forward saturation current, transconductance, and threshold voltage. The results demonstrate that the presence of an electrical field makes it more susceptible to proton irradiation. The decrease of 12.4% in forward saturation and 19% in transconductance at the lowest fluence in ON mode suggests that both carrier density and mobility are reduced after irradiation. Additionally, a positive shift in threshold voltage (0.32 V and 0.09 V in ON and OFF mode, respectively) indicates the generation of acceptor-like traps due to proton bombardment. high-resolution transmission electron microscopy and energy dispersive x-ray spectroscopy analysis reveal significant defects introduction and atom intermixing near AlGaN/GaN interfaces and within the GaN layer after the highest irradiation dose employed in this study. According to in-situ Raman spectroscopy, defects caused by irradiation can lead to a rise in self-heating and a considerable increase in (∼750 times) thermoelastic stress in the GaN layer during device operation. The findings indicate device engineering or electrical biasing protocol must be employed to compensate for radiation-induced defects formed during proton irradiation to improve device durability and reliability.

gallium nitride↗
DOE OSTI2021

Boron nitride nanotube precursor formation during high-temperature synthesis: kinetic and thermodynamic modelling

In this work, we performed integrated modelling of the chemical pathways of formation for boron nitride nanotube (BNNT) precursors during high-temperature synthesis in a B/N 2 mixture. Integrated modelling includes quantum chemistry, Quantum–classical molecular dynamics, thermodynamic modelling, and kinetic approaches. We demonstrate that BN compounds are formed via the interaction of molecular nitrogen with small boron clusters, rather than through interactions with less reactive liquid boron. (This process can also be described as N 2 molecule fixation.) Liquid boron evaporates to produce these boron clusters (B m with m ≤ 5), which are subsequently converted into B m N n chains. The production of such chains is crucial to the growth of BNNTs because these chains form the building blocks of bigger and longer BN chains and rings, which are in turn the building blocks of fullborenes and BNNTs. Additionally, kinetic modelling revealed that B 4 N 4 and B 5 N 4 species in particular play a major role in the N 2 molecule fixation process. Furthermore, the formation of these species via reactions with B 4 and B 5 clusters is not adequately described under the assumption of thermodynamic equilibrium, as is demonstrated in our kinetic modelling. Thus, the accumulation of both B 4 N 4 and B 5 N 4 depends on the background gas pressure and the gas cooling rate. Long BN chains and rings, which are precursors of the fullborene and BNNT growth, form via self-assembly of components B 4 N 4 and B 5 N 4 . Our modelling results—particularly the increased densities of B 4 N 4 and B 5 N 4 species at higher gas pressures—explain the experimentally observed effect of gas pressure on the yield of high-quality BNNTs. The catalytic role of hydrogen was also studied; it is shown that HBNH molecules can be the main precursor of BNNT synthesis in the presence of hydrogen.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Active conditioning of ASDEX Upgrade tungsten plasma-facing components and discharge enhancement through boron and boron nitride particulate injection

The injection of boron (B) and boron nitride (BN) powders into ASDEX Upgrade H-mode discharges have demonstrated effective control of tungsten influx in low density/collisionality operational regimes, similar to conventional boronization methods. Sub-mm powder particles are gravitationally accelerated into the upper edge of a lower single null H-mode plasma with a boundary shape roughly conforming to the shape of the poloidal midplane limiters. Visible spectroscopy measurements at one of the outer limiter showed increases in both B and N signal levels, as well as elevated B levels in the divertor, and an increase in total radiated power by greater than a factor of two during BN injection. Globally the BN injection improved energy confinement by 10%–20%, associated with improvements in pedestal performance similar to gaseous N injection. Following conditioning discharges with B powder injection, three low gas-fueling discharges with magnetic perturbations for ELM suppression were successfully conducted. Furthermore, these first results suggest that the application of B containing powders can be used to both improve plasma performance in real-time, and to improve overall wall conditions for subsequent discharges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Application-driven synthesis and characterization of hexagonal boron nitride deposited on metals and carbon nanotubes

Hexagonal boron nitride (h-BN) is unique among two-dimensional materials, with a large band gap (~6 eV) and high in-plane thermal conductivity (>400 W m -1 K -1 ), second only to diamond among electrical insulators. Many studies to date have relied on exfoliated h-BN, however, for large-scale applications the material must be synthesized by methods such as chemical vapor deposition (CVD). Here, we first investigate single-layer h-BN synthesized by CVD on single crystal platinum (Pt), comparing these films with h-BN deposited on more commonly used polycrystalline Pt and Cu. The h-BN film grown on single crystal Pt has the lowest surface roughness and best spatial homogeneity, and our electrochemical transfer process allows the Pt to be reused with no measurable degradation. Additionally, we also demonstrate direct capping of carbon nanotubes (CNTs) with as-grown h-BN, but we find that the direct growth partly degrades the CNT electrical conductivity. On the other hand, we show that transferred monolayer h-BN can serve as an ultrathin barrier which protects MoS2 from damage at high temperatures and discuss other applications that take advantage of the conformal h-BN deposition.

2D materials↗
DOE OSTI2022

Magnetic Imaging with Spin Defects in Hexagonal Boron Nitride

Optically active spin defects hosted in hexagonal boron nitride (ℎ-BN) are promising candidates for the development of a two-dimensional (2D) quantum sensing unit. Here, we demonstrate quantitative magnetic imaging with ℎ-BN flakes doped with negatively charged boron-vacancy ($V^{-}_{B}$) centers through neutron irradiation. As a proof-of-concept, we image the magnetic field produced by Cr⁢Te 2 , a van der Waals ferromagnet with a Curie temperature slightly above 300 K. Compared to other quantum sensors embedded in 3D materials, the advantages of the ℎ-BN-based magnetic sensor described in this work are its ease of use, high flexibility, and, more importantly, its ability to be placed in close proximity to a target sample. Further, such a sensing unit will likely find numerous applications in 2D materials research by offering a simple way to probe the physics of van der Waals heterostructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Injection mechanisms in a III -nitride light-emitting diode as seen by self-emissive electron microscopy

Here, we report on the investigation of an electrically biased high efficiency green III-nitride light-emitting diode (LED) by electron emission microscopy (EEM) using a low-energy electron microscope (LEEM). The surface of the LED was activated to negative electron affinity via deposition of a submonolayer of Cs. With the illumination column of the LEEM turned off, upon electrical injection of the LED, we directly image the hot electrons generated by eeh Auger-Meitner nonradiative processes that diffuse through the top p-Ga N layer and emit out the surface of the biased LED. By determining the source of emitted electrons using complementary electron emission spectroscopy measurements, EEM allows us to effectively map the carrier density within the LED. Using EEM, we observed nonelectron emitting regions with a density of approximately 3 × 10 8 cm -2 , identified as V-shaped defects (V-defects). This is confirmed through the corresponding dark spots of panchromatic cathodoluminescence measurements of the same sample and by plan-view transmission electron microscopy. The absence of electron emission at the sidewall of the V-defects can be attributed to several factors, including reduced carrier density in the sidewall quantum wells due to carriers traveling fast through the semipolar sidewalls before being injected into the planar quantum wells, the reduced population of hot electrons surviving diffusion through the thicker p-GaN filling in the V-defect before emission onto vacuum, and a smaller Auger-Meitner coefficient for the low In content semipolar sidewall quantum wells. The stronger electron emission observed at the ridges of most V-defects compared to the planar quantum well regions indicates larger local injected carrier densities, confirming that V-defect sidewalls allow for strong lateral carrier injection when compared to the weaker vertical injection away from the V-defect as evidenced by the weaker electron emission intensity away from the V-defects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Structural and mechanical properties of monolayer amorphous carbon and boron nitride

Amorphous materials exhibit various characteristics that are not featured by crystals and can sometimes be tuned by their degree of disorder (DOD). Here, we report results on the mechanical properties of monolayer amorphous carbon (MAC) and monolayer amorphous boron nitride (maBN) with different DOD. The pertinent structures are obtained by kinetic-Monte-Carlo (kMC) simulations using machine-learning potentials (MLP) with density-functional-theory (DFT)-level accuracy. An intuitive order parameter, namely the areal fraction F x occupied by crystallites within the continuous random network, is proposed to describe the DOD. We find that F x captures the essence of the DOD: Samples with the same F x but different sizes and arrangements of crystallites, obtained using two distinct kMC procedures, have virtually identical radial distributions functions as well as bond-length and bond-angle distributions. Furthermore, by simulating the fracture process with molecular dynamics, we found that the mechanical responses of MAC and maBN before fracture are mainly determined by F x and are insensitive to the sizes and specific arrangements and to some extent the numbers and area distributions of the crystallites. The behavior of cracks in the two materials is analyzed and found to mainly propagate in meandering paths in the CRN region and to be influenced by crystallites in distinct ways that toughen the material. Furthermore, the present results reveal the relation between structure and mechanical properties in amorphous monolayers and may provide a universal toughening strategy for 2D materials.

2-dimensional systems↗
DOE OSTI2020

Tuned and screened range-separated hybrid density functional theory for describing electronic and optical properties of defective gallium nitride

We apply a hybrid density functional theory approach, based on a tuned and screened range-separated hybrid (SRSH) exchange-correlation functional, to describe the optoelectronic properties of defective gallium nitride (GaN). SRSH and time-dependent SRSH (TDSRSH) are tuned to produce accurate energetics for the pristine material and applied to the study of a series of point defects in bulk GaN, a blue light-emitting material that degrades in the presence of defects. We first establish the accuracy of the method by comparing the predicted quasiparticle gap and low-energy excitation spectra of (TD)SRSH and many-body perturbation theory for both pristine GaN and GaN containing a single nitrogen vacancy. Aided by the reduced computational cost of (TD)SRSH, we then report on three additional technologically relevant point defects and defect complexes in GaN: the gallium vacancy, the carbon interstitial, and the carbon-silicon complex. We compute the low-energy optical absorption spectra for these defects and show the presence of defect-centered transitions. Furthermore, by estimating the Stokes shift, we predict, in agreement with previous studies, that the carbon substitutional defect is a candidate for the detrimental yellow luminescence in GaN. Furthermore, this study indicates that TDSRSH is a promising and computationally feasible approach for quantitatively accurate, first-principles modeling of defective semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Boron nitride on SiC(0001)

Here, in the field of van der Waals heterostructures, the twist angle between stacked two-dimensional layers has been identified to be of utmost importance for the properties of the heterostructures. In this context, we previously reported the growth of a single layer of unconventionally oriented epitaxial graphene that forms in a surfactant atmosphere [F. C. Bocquet et al., Phys. Rev. Lett. 125, 106102 (2020)]. The resulting G-R0° layer is aligned with the SiC lattice, and hence represents an important milestone towards high-quality twisted bilayer graphene, a frequently investigated model system in this field. Here, we focus on the surface structures obtained in the same surfactant atmosphere, but at lower preparation temperatures at which a boron nitride template layer forms on SiC(0001). In a comprehensive study based on complementary experimental and theoretical techniques, we find—in contrast to the literature—that this template layer is a hexagonal B x N y layer, but not high-quality hBN. It is aligned with the SiC lattice and gradually replaced by low-quality graphene in the 0° orientation of the B x N y template layer upon annealing.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ferroelectric C-Axis Textured Aluminum Scandium Nitride Thin Films of 100 nm Thickness

We report on the properties of Aluminum Scandium Nitride (AlScN) thin films deposited by pulsed-DC co-sputtering. We present the impact of the nitrogen-to-argon gas ratio on the crystal growth orientation, film stress, surface roughness, scandium concentration, and deposition rate of 760-860 nm thick AlScN thin films on Ti/Pt (111). We utilize the optimized process conditions from this study to deposit thin layers of AlScN and to explore the nucleation and orientation of thin AlScN layers on Ti/Pt (111). We report on the ferroelectric properties of 100 nm thick AlScN materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Experimental Analysis of the Elastic Plastic Transition During Nanoindentation of Single Crystal a-Silicon Nitride

The elastic-to-plastic transition in single crystal a-silicon nitride was experimentally characterized through a series of nanoindentation experiments using a spherical indenter. The experimental results provide a quantitative description of the critical shear strengths for the transition, as well as estimates of the shear modulus and nanohardness of the material.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Hydrogen effects in hydrofluorocarbon plasma etching of silicon nitride: Beam study with CF{sup +}, CF{sub 2}{sup +}, CHF{sub 2}{sup +}, and CH{sub 2}F{sup +} ions

Hydrogen in hydrofluorocarbon plasmas plays an important role in silicon nitride (Si{sub 3}N{sub 4}) reactive ion etching. This study focuses on the elementary reactions of energetic CHF{sub 2}{sup +} and CH{sub 2}F{sup +} ions with Si{sub 3}N{sub 4} surfaces. In the experiments, Si{sub 3}N{sub 4} surfaces were irradiated by monoenergetic (500-1500 eV) beams of CHF{sub 2}{sup +} and CH{sub 2}F{sup +} ions as well as hydrogen-free CF{sub 2}{sup +} and CF{sup +} ions generated by a mass-selected ion beam system and their etching yields and surface properties were examined. It has been found that, when etching takes place, the etching rates of Si{sub 3}N{sub 4} by hydrofluorocarbon ions, i.e., CHF{sub 2}{sup +} and CH{sub 2}F{sup +}, are higher than those by the corresponding fluorocarbon ions, i.e., CF{sub 2}{sup +} and CF{sup +}, respectively. When carbon film deposition takes place, it has been found that hydrogen of incident hydrofluorocarbon ions tends to scavenge fluorine of the deposited film, reducing its fluorine content.

36 MATERIALS SCIENCE↗