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DOE OSTI2023

Ferroelectric Domain Wall Engineering Enables Thermal Modulation in PMN–PT Single Crystals

Acting like thermal resistances, ferroelectric domain walls can be manipulated to realize dynamic modulation of thermal conductivity ( k ), which is essential for developing novel phononic circuits. Despite the interest, little attention has been paid to achieving room-temperature thermal modulation in bulk materials due to challenges in obtaining a high thermal conductivity switching ratio ( k high / k low ), particularly in commercially viable materials. Here, room-temperature thermal modulation in 2.5 mm-thick Pb(Mg 1/3 Nb 2/3 )O 3 – x PbTiO 3 (PMN– x PT) single crystals is demonstrated. With the use of advanced poling conditions, assisted by the systematic study on composition and orientation dependence of PMN– x PT, a range of thermal conductivity switching ratios with a maximum of ≈1.27 is observed. Further, simultaneous measurements of piezoelectric coefficient (d 33 ) to characterize the poling state, domain wall density using polarized light microscopy (PLM), and birefringence change using quantitative PLM reveal that compared to the unpoled state, the domain wall density at intermediate poling states (0< d 33 33,max ) is lower due to the enlargement in domain size. At optimized poling conditions (d 33,max ), the domain sizes show increased inhomogeneity that leads to enhancement in the domain wall density. This work highlights the potential of commercially available PMN– x PT single crystals among other relaxor-ferroelectrics for achieving temperature control in solid-state devices.

36 MATERIALS SCIENCE↗

DOE OSTI2023

IrGe 4 : A Predicted Weyl-Metal with a Chiral Crystal Structure

Polycrystalline IrGe4 was synthesized by annealing elements at 800 °C for 240 h, and the composition was confirmed by energy-dispersive X-ray spectroscopy. IrGe 4 adopts a chiral crystal structure (space group P3 1 21) instead of a polar crystal structure (P3 1 ), which was corroborated by the convergent-beam electron diffraction and Rietveld refinements using synchrotron powder X-ray diffraction data. The crystal structure features layers of IrGe 8 polyhedra along the b axis, and the layers are connected by edge- and corner-sharing. Each layer consists of corner-shared [Ir 3 Ge 20 ] trimers, which are formed by three IrGe 8 polyhedra connected by edge-sharing. Temperature-dependent resistivity indicates metallic behavior. The magnetoresistance increases with increasing applied magnetic field, and the nonsaturating magnetoresistance reaches 11.5% at 9 T and 10 K. The Hall resistivity suggests that holes are the majority carrier type, with a carrier concentration of 4.02 × 10 21 cm –3 at 300 K. In conclusion, electronic band structures calculated by density functional theory reveal a Weyl point with a chiral charge of +3 above the Fermi level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Localized Corrosion of Chromium-Containing Conventional and Multiprincipal Element Alloys in Methanol and Aqueous Chloride Environments

The localized corrosion behavior of Type 304L stainless steel (UNS S30400), Alloy 625 (UNS N06625), and three experimental NiCoCrMo multiprincipal element alloys (MPEA), exposed to methanol/lithium chloride solutions with different water contents, is examined in this paper. Cyclic potentiodynamic polarization tests indicated that water increased the pitting and repassivation potentials and the critical temperature at which localized corrosion occurred in chloride solutions. The effect of water on repassivation potential in methanol-chloride solution depended on the chloride concentration and alloy content. At lower chloride concentration and higher alloy content, water had a greater inhibiting effect on repassivation potential, suggesting a competitive reaction between chloride and water on the metal surface in the pit. The localized corrosion resistance of the MPEAs followed the same trend as that of commercial stainless steels and Ni-base alloys in terms of the effect of alloying elements. The implications of these results on the mechanisms of localized corrosion are discussed.

Materials Science↗

DOE OSTI2022

Entangled core/shell magnetic structure driven by surface magnetic symmetry-breaking in Cr 2 O 3 nanoparticles

Bulk Cr 2 O 3 is an antiferromagnetic (AFM) oxide that exhibits the magnetoelectric effect at room temperature, with neither spontaneous magnetization nor net electric polarization. These physical properties stem from a subtle competition between exchange and crystal field interactions. In this article, we exploit the symmetry breaking at the surface of Cr 2 O 3 nanoparticles for unbalancing this delicate physical equilibrium. The emerging weak ferromagnetic signal we observe persists up to near room temperature (≈ 270 K) at which the antiferromagnetic order disappears. In addition, an exchange-bias effect, that rapidly decreases on heating from low temperature up to 30 K, is resistant to thermal disorder above 200 K. In conclusion, our findings point to the possible formation of an entangled core/shell magnetic structure, where pinned uncompensated spins at the shell are randomly distributed in a low-temperature spin-glass ordering, with low net magnetic moment and an ordering temperature governed by the AFM Néel temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Corrosion evaluation of Ti–6Al–4V manufactured by electron beam melting in Ringer’s physiological solution: an in vitro study of the passive film

We report that electrochemical characteristics and semiconducting behavior of additively manufactured electron beam melted (EBM) and wrought (WR) Ti–6Al–4V (Ti-G5) are compared in Ringer’s physiological solution. X-ray diffraction (XRD) and field emission scanning electron microscopy (FE-SEM) confirmed the α+β structure of the tested materials, with two different microstructure types of “bimodal” and “basket-weave” for WR and EBM, respectively. Potentiodynamic polarization (PDP) revealed that the corrosion current density for EBM (i corr =0.27±0.06 μA cm -2 ) is less than the WR (i corr =0.70±0.05 μA cm -2 ). Moreover, potentiostatic polarization (PS) that was employed to form the passive layers at three different potentials of 300, 500, and 700 mV Ag/AgCl , showed that the passive films on the EBM sample are thinner. This finding was confirmed by electrochemical impedance spectroscopy (EIS). Furthermore, through Mott–Schottky (M–S) analysis, donor densities on WR passive films were found to be ~1.5 times larger than EBM. Although PS and EIS confirmed that the passive layer on EBM is thinner, it provides higher corrosion resistance than WR. The passive layer on both samples were found to have n-type characteristics with a duplex structure.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Electron mobility enhancement by electric field engineering of AlN/GaN/AlN quantum-well HEMTs on single-crystal AlN substrates

To enhance the electron mobility in quantum-well high-electron-mobility transistors (QW HEMTs), we investigate the transport properties in AlN/GaN/AlN heterostructures on Al-polar single-crystal AlN substrates. Theoretical modeling combined with experiment shows that interface roughness scattering due to high electric field in the quantum well limits mobility. Increasing the width of the quantum well to its relaxed form reduces the internal electric field and scattering, resulting in a binary QW HEMT with a high two-dimensional electron gas (2DEG) density of 3.68×1013 cm–2, a mobility of 823 cm2/Vs, and a record-low room temperature (RT) sheet resistance of 206 Ω/□. Further reduction of the quantum well electric field yields a 2DEG density of 2.53×1013 cm–2 and RT mobility > 1000 cm2/V s. These findings will enable future developments in high-voltage and high-power microwave applications on the ultrawide bandgap AlN substrate platform.

Physics↗

DOE OSTI2025

Enhancement-Mode GaN Monolithic Bidirectional Switch With Breakdown Voltage Over 3.3 kV

Here, this work demonstrates a GaN enhancement-mode monolithic bidirectional switch (MBDS) with breakdown voltage (BV) higher than 3.3 kV in both polarities. This MBDS is realized on a dual p-GaN gate high electron mobility transistor (HEMT) platform on sapphire substrate. It features a novel dual junction termination extension design for electric field management, which is built on the p-GaN layer in the gate stack and does not require epitaxial regrowth. The GaN MBDS exhibits symmetric on-state characteristics in both directions with a threshold voltage (V th ) of 0.6 V and a low specific on-resistance (R on,sp ) of 5.6 m Ω · cm2. This device presents the highest BV, as well as one of the best BV and R on,sp trade-offs, in all the reported MBDS devices. The R on,sp is lower than the performance limit of conventional BDS realized by two discrete devices. This 3.3 kV GaN MBDS opens the door for developing new circuit topologies and advancing system performance in medium-voltage power electronics.

42 ENGINEERING↗

NASA NTRS2005

Lunar and Planetary Science XXXVI, Part 20

The topics include: 1) Virtual Reality Technology as a Tool to Enhance Collaboration Between Space Exploration and Public Outreach: The Case Using the Mars Exploration Rover Images; 2) Atmospheric Electron-induced X-Ray Spectrometer (AEXS) Instrument Development; 3) Impact of Low Thermal Conductivity Layers on the Bulk Conductivity of a Martian Crustal Column; 4) Impacting Classroom Teachers Through Long-Term Professional Development; 5) Oxygen, Ca, and Ti Isotopic Compositions of Hibonite-bearing Inclusions; 6) Phenomenological Excitation Functions of Xe Isotopes with Protons on Nuclei of Cs, La and Ce; 7) Double-Diffusive Convection and Other Modes of Salinity-modulated Heat and Material Transport in Europa s Ocean; 8) Slope Morphologies of the Hellas Mensae Constructs, Eastern Hellas Planitia, Mars; 9) Development of Polygonal Thermal Contraction Patterns in a South Polar Trough, Mars 3 Years of Observations; 10) Martian Relevance of Dehydration and Rehydration in the Mg-Sulfate System; 11) Formation of Martian Volcanic Provinces by Lower Mantle Flushing? 12) Can Glasses Help Us to Unravel the Origin of Barred Olivine Chondrules? 13) Loki Patera: A Magma Sea Story; 14) Compositions of Partly Altered Olivine and Replacement Serpentine in the CM2 Chondrite QUE93005; 15) Model of Light Scattering by Lunar Regolith at Moderate Phase Angles: New Results; 16) Radiation Resistance of a Silicone Polymer Grease Based Regolith Collector for the HERA Near-Earth Asteroid Sample Return Mission; 17) Analysis of the Tectonic Lineaments in the Ganiki Planitia (V14) Quadrangle, Venus; 18) Nanometer-sized Diamonds from AGB Stars; 19) Quantifying Exact Motions Along Lineaments on Europa; 20) Geometry of Thrust Faults Beneath Amenthes Rupes, Mars; 21) Mapping of the Physical Characteristics and Mineral Composition of a Superficial Layer of the Moon or Mars and Ultra-Violet Polarimetry from the Orbital Station; 22) Negative Searches for Evidence of Aqueous Alteration on Asteroid Surfaces; 23) What Processes Have Shaped Basalt Boulders on Earth and Mars? Studies of Feature Persistence Using Facet Mapping and Fractal Analysis; 24) The Popigai Fluidizites: Dense Water Inclusions in Lechatelierite; Evidence for Shock-generated Carbonate and Hydrous Silicate Melts; 25) Missing Xenon Problem and Climate of the Early Earth; and 26) More on Magnetic Spectra from Correlated Crustal Sources on Mars

Source record↗

NASA NTRS2009

Electrically Variable or Programmable Nonvolatile Capacitors

Electrically variable or programmable capacitors based on the unique properties of thin perovskite films are undergoing development. These capacitors show promise of overcoming two important deficiencies of prior electrically programmable capacitors: Unlike in the case of varactors, it is not necessary to supply power continuously to make these capacitors retain their capacitance values. Hence, these capacitors may prove useful as components of nonvolatile analog and digital electronic memories. Unlike in the case of ferroelectric capacitors, it is possible to measure the capacitance values of these capacitors without changing the values. In other words, whereas readout of ferroelectric capacitors is destructive, readout of these capacitors can be nondestructive. A capacitor of this type is a simple two terminal device. It includes a thin film of a suitable perovskite as the dielectric layer, sandwiched between two metal or metal oxide electrodes (for example, see Figure 1). The utility of this device as a variable capacitor is based on a phenomenon, known as electrical-pulse-induced capacitance (EPIC), that is observed in thin perovskite films and especially in those thin perovskite films that exhibit the colossal magnetoresistive (CMR) effect. In EPIC, the application of one or more electrical pulses that exceed a threshold magnitude (typically somewhat less than 1 V) gives rise to a nonvolatile change in capacitance. The change in capacitance depends on the magnitude duration, polarity, and number of pulses. It is not necessary to apply a magnetic field or to cool the device below (or heat it above) room temperature to obtain EPIC. Examples of suitable CMR perovskites include Pr(1-x)Ca(x)MnO3, La(1-x)S-r(x)MnO3,and Nb(1-x)Ca(x)MnO3. Figure 2 is a block diagram showing an EPIC capacitor connected to a circuit that can vary the capacitance, measure the capacitance, and/or measure the resistance of the capacitor.

Shangqing, Liu↗

DOE OSTI2020

Spin Rectification and Electrically Controlled Spin Transport in Molecular-Ferroelectrics-Based Spin Valves

We report a spin-rectification effect in a spin-valve structure consisting of ferroelectric croconic acid (C 5 H 2 O 5 ) sandwiched between ferromagnetic electrodes La 0.7 Sr 0.3 MnO 3 and Co, which can be switched between a high-resistance (off ) and a low-resistance (on) state by a poling voltage. In the off state, the magnetoresistance (MR) sign reverses with the measurement voltage with a 0.1-V offset, suggesting a spin-rectification behavior, while in the on state the MR remains negative. These observations can be understood in terms of electrically controlled interfacial energy-band alignment either from the electrostatic effect or from the interfacial redox process. In conclusion, the observed spin-rectification effect suggests thepossibility of diodelike devices for spin-polarized current.

36 MATERIALS SCIENCE↗

DOE OSTI2026

GaN Core-shell Nanofin Vertical Transistor (CoNVerT): A New Direction for Power Electronics (Final Scientific/Technical Report)

A novel power transistor architecture, the GaN c ore-shell n anofin ver tical transistor (CoNVerT) to address fundamental challenges in realizing the ultimate limit of GaN power transistor performance was explored experimentally. This technology promises ultra-high-efficiency high voltage/high power applications (e.g. DC/DC converters, motor control, fast charging, actuation), as well as to operate in harsh environments. The device exploits a vertical superjunction structure based on an experimentally-validated core-shell nanofin growth process in which lateral p-n heterojunctions are formed in a single growth step, while still maintaining vertical current flow for compact die size and low cost. The concept leverages the best properties of GaN for mid-range voltage applications: high mobility, high breakdown voltage, and native heterojunction enhancement-mode operation. Due to the crystallographic nature of the nanofin growth by molecular beam epitaxy, the sidewall heterojunctions occur on non-polar planes, resulting in ultra-smooth interfaces for high mobility, no sidewall etch damage and related surface/interface states, and elimination of piezoelectric effects that can limit reliability in conventional structures. This also facilitates superjunction formation for maximum device performance, and the selective-area growth of the nanofin results in dislocation-free growth, even on low-cost Si (111) substrate. In this program, core-shell nanofins were grown by molecular beam epitaxy, test structures to evaluate the doping, resistivity, and other electrical properties were fabricated, and the material and test structures were characterized in detail. The work identified clear potential (e.g., the doping was well controlled as required for superjunction concepts), but also additional areas that require additional effort to resolve (some unexpected crystal defects were encountered that require additional engineering to overcome). Simulation studies of the proposed concept validate that the fundamental approach is very promising, but additional effort in experimental realization is needed.

42 ENGINEERING↗

DOE OSTI2022

Distributed polarization-doped GaN p–n diodes with near-unity ideality factor and avalanche breakdown voltage of 1.25 kV

Polarization-induced (Pi) distributed or bulk doping in GaN, with a zero dopant ionization energy, can reduce temperature or frequency dispersions in impurity-doped p–n junctions caused by the deep-acceptor-nature of Mg, thus offering GaN power devices promising prospects. Before comprehensively assessing the benefits of Pi-doping, ideal junction behaviors and high-voltage capabilities should be confirmed. In this work, we demonstrate near-ideal forward and reverse I–V characteristics in Pi-doped GaN power p–n diodes, which incorporates linearly graded, coherently strained AlGaN layers. Hall measurements show a net increase in the hole concentration of 8.9 × 1016 cm−3 in the p-layer as a result of the polarization charge. In the Pi-doped n-layer, a record-low electron concentration of 2.5 × 1016 cm−3 is realized due to the gradual grading of Al0-0.72GaN over 1 μm. The Pi-doped p–n diodes have an ideality factor as low as 1.1 and a 0.10 V higher turn-on voltage than the impurity-doped p–n diodes due to the increase in the bandgap at the junction edge. A differential specific on-resistance of 0.1 mΩ cm2 is extracted from the Pi-doped p–n diodes, similar with the impurity-doped counterpart. The Pi-doped diodes show an avalanche breakdown voltage of ∼1.25 kV, indicating a high reverse blocking capability even without an ideal edge-termination. This work confirms that distributed Pi-doping can be incorporated in high-voltage GaN power devices to increase hole concentrations while maintaining excellent junction properties.

Nomoto, Kazuki↗

DOE OSTI2022

A Gapped Phase in Semimetallic T d -WTe 2 Induced by Lithium Intercalation

The Weyl semimetal WTe 2 has shown several correlated electronic behaviors, such as the quantum spin Hall effect, superconductivity, ferroelectricity, and a possible exciton insulator state, all of which can be tuned by various physical and chemical approaches. A new electronic phase in WTe 2 induced by lithium intercalation is discovered. The new phase exhibits an increasing resistivity with decreasing temperature and its carrier density is almost two orders of magnitude lower than the carrier density of the semimetallic T d phase, probed by in situ Hall measurements as a function of lithium intercalation. The theoretical calculations predict the new lithiated phase to be a potential charge density wave (CDW) phase with a bandgap of ≈0.14 eV, in good agreement with the in situ transport data. The new phase is structurally distinct from the initial T d phase, characterized by polarization-angle-dependent Raman spectroscopy, and large lattice distortions close to 6% are predicted in the new phase. This finding of a new gapped phase in a 2D semimetal demonstrates electrochemical intercalation as a powerful tuning knob for modulating electron density and phase stability in 2D materials.

36 MATERIALS SCIENCE↗

NASA NTRS1998

Process for controlling morphology and improving thermal mechanical performance of high performance interpenetrating and semiinterpenetrating polymer networks

In the process of the present invention, a non-polar, aprotic solvent is removed from an oligomer/polymer solution by freeze-drying in order to produce IPNs and semi-IPNs. By thermally quenching the solution to a solid in a short length of time, the size of the minor constituent-rich regions is greatly reduced as they are excluded along with the major constituent from the regions of crystallizing solvent. The use of this process sequence of controlling phase morphology provides IPNs and semi-IPNs with improved fracture toughness, microcracking resistance, and other physical-mechanical properties as compared to IPNs and semi-IPNs formed when the solvent is evaporated rather than sublimed.

Pater, Ruth H.↗

NASA NTRS1997

Process for controlling morphology and improving thermal-mechanical performance of high performance interpenetrating and semi-interpenetrating polymer networks

Pater, Ruth H.↗

DOE OSTI2025

Comparing Outdoor to Indoor Performance for Bifacial Modules Affected by Polarization-Type Potential-Induced Degradation

Bifacial photovoltaic (PV) modules have the advantage of using light reflected off of the ground to contribute to power production. Predicting the energy gain is challenging and requires complex models to do so accurately. Often, module degradation over time is neglected in models for the sake of simplicity or is underestimated. Comparing outdoor and indoor current–voltage (I–V) performance for bifacial modules is more challenging than for monofacial modules, as there are additional variables to consider such as rear albedo non-uniformity, cell mismatch, and their effects on temperature. This challenge is compounded when heterogeneous degradation modes occur, such as polarization-type potential-induced degradation (PID-p). To examine the effects of PID-p on I–V predictions using an empirical data-driven approach, 16 bifacial PERC modules are installed outdoors on racks with different albedo conditions. A subset is exposed to high-voltage biases of −1500 V or +1500 V. Outdoor data are traced at irradiance ranges of 150–250 W/m 2 , 500–600 W/m 2 , and 900–1000 W/m 2 . These curves are corrected using control module temperature, wire resistivity, and module resistance measured indoors. We examine several methods to transform indoor I–V curves to accurately, and more simply than existing methods, approximate outdoor performance for bifacial modules without and with varying levels of PID-p degradation. This way, bifacial performance modeling can be more accessible and informed by fielded, degraded modules. Distributions of percent errors between indoor and outdoor performance parameters and Mean Absolute Percent Errors (MAPEs) are used to assess method quality. Results including low-irradiance data (150–250 W/m 2 ) are discussed but are filtered for quantifying method quality as these data introduce substantial errors. The method with the most optimal tradeoff between low MAPE and analysis simplicity involves measuring the front side of a module indoors at an irradiance equal to plane-of-array irradiance plus the product of module bifaciality and albedo irradiance. This method gives MAPE values of 1–6.5% for non-degraded and 1.6–5.9% for PID-p degraded module performance.

14 SOLAR ENERGY↗

DOE OSTI2020

Identifying the Molecular Edge Termination of Exfoliated Hexagonal Boron Nitride Nanosheets with Solid-State NMR Spectroscopy and Plane-Wave DFT Calculations

Hexagonal boron nitride nanosheets (h-BNNS), the isoelectronic analog to graphene, have received interest over the past decade due to their high thermal oxidative resistance, high bandgap, catalytic activity, and low cost. The functional groups that terminate boron and nitrogen zigzag and/or armchair edges directly affect their chemical, physical, and electronic properties. However, an understanding of the molecular edge termination present in h-BNNS is lacking. Here, high-resolution magic-angle spinning (MAS) solid-state NMR (SSNMR) spectroscopy, and plane-wave density-functional theory (DFT) calculations are used to determine the molecular edge termination in exfoliated h-BNNS. 1 H → 11 B cross-polarization MAS (CPMAS) SSNMR spectra of h-BNNS revealed multiple hydroxyl/oxygen coordinated boron edge sites that were not detectable in direct excitation experiments. A dynamic nuclear polarization (DNP)-enhanced 1 H → 15 N CPMAS spectrum of h-BNNS displayed four distinct 15 N resonances while a 2D 1 H{ 14 N} dipolar-HMQC spectrum acquired with fast MAS revealed three distinct 14 N environments. Plane-wave DFT calculations were used to construct model edge structures and predict the corresponding 11 B, 14 N and 15 N SSNMR spectra. Comparison of the experimental and predicted SSNMR spectra confirms that zigzag and armchair edges with both amine and boron hydroxide/oxide termination are present. The detailed characterization of h-BNNS molecular edge termination will prove useful for many material science applications. The techniques outlined here should also be applicable to understand the molecular edge terminations in other 2D materials

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1977

Bright X-ray arcs and the emergence of solar magnetic flux

The Skylab S-056 and S-082A experiments and ground-based magnetograms have been used to study the role of bright X-ray arcs and the emergence of solar magnetic flux in the McMath region 12476. The S-056 X-ray images show a system of one or sometimes two bright arcs within a diffuse emitting region. The arcs seem to directly connect regions of opposite magnetic polarity in the photosphere. Magnetograms suggest the possible emergence of a magnetic flux. The width of the main arc is approximately 6 arcsec when most clearly defined, and the length is approximately 30-50 arcsec. Although the arc system is observed to vary in brightness over a period exceeding 24 hours, it remains fixed in orientation. The temperature of the main arc is approximately 3 x 10 to the 6th K. It is suggested that merging magnetic fields may provide the primary energy source, perhaps accompanied by resistive heating from a force-free current.

Chapman, G. A.↗