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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 307 records · Page 17

AlGaN/GaN metal–insulator–semiconductor high electron mobility transistors (MISHEMTs) using plasma deposited BN as gate dielectric

AlGaN/GaN metal–insulator–semiconductor high electron mobility transistors (MISHEMTs) were fabricated on Si substrates with a 10 nm boron nitride (BN) layer as a gate dielectric deposited by electron cyclotron resonance microwave plasma chemical vapor deposition. The material characterization of the BN/GaN interface was investigated by X-ray photoelectric spectroscopy (XPS) and UV photoelectron spectroscopy. The BN bandgap from the B1s XPS energy loss is ~5 eV consistent with sp2 bonding. The MISHEMTs exhibit a low off-state current of 1 × 10 –8 mA/mm, a high on/off current ratio of 10 9 , a threshold voltage of –2.76 V, a maximum transconductance of 32 mS/mm at a gate voltage of –2.1 V and a drain voltage of 1 V, a subthreshold swing of 69.1 mV/dec, and an on-resistance of 12.75 Ω·mm. The interface state density (D it ) is estimated to be less than 8.49 × 10 11 cm –2 eV –1 . Gate leakage current mechanisms were investigated by temperature-dependent current–voltage measurements from 300 K to 500 K. The maximum breakdown electric field is no less than 8.4 MV/cm. Poole–Frenkel emission and Fowler–Nordheim tunneling are indicated as the dominant mechanisms of the gate leakage through the BN gate dielectric at low and high electric fields, respectively.

36 MATERIALS SCIENCE↗

Electric field driven domain wall dynamics in BaTiO 3 nanoparticles

We report a detailed investigation into the response of single BaTiO 3 (BTO) nanocrystals under applied electric fields (E-field) using Bragg coherent diffraction imaging. Our study reveals pronounced domain wall migration and expansion of a sample measure under applied electric field. The changes are most prominent at the surface of the nanocrystal, where the lack of external strain allows greater domain wall mobility. The observed domain shifts are correlated to the strength and orientation of the applied E-field, following a side-by-side domain model from Suzana []. Notably, we identified a critical electric field strength of 3 MV/m, which leads to irreversible structural changes, suggesting plastic deformation. The findings highlight how surface effects and intrinsic defects contribute to the enhanced dielectric properties of BTO at the nanoscale, in contrast to bulk materials, where strain limits domain mobility. These findings deepen our understanding of nanoscale dielectric behavior and inform the design of advanced nanoelectronic devices. Published by the American Physical Society 2025

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Full characterization of ultrathin 5-nm low-k dielectric bilayers: Influence of dopants and surfaces on the mechanical properties

Ultrathin films and multilayers, with controlled thickness down to single atomic layers, are critical for advanced technologies ranging from nanoelectronics to spintronics to quantum devices. However, for thicknesses less than 10 nm, surfaces and dopants contribute significantly to the film properties, which can differ dramatically from that of bulk materials. Therefore, for amorphous films being developed as low dielectric constant interfaces for nanoelectronics, the presence of surfaces or dopants can soften films and degrade their mechanical performance. Here we use coherent short-wavelength light to fully and nondestructively characterize the mechanical properties of individual films as thin as 5 nm within a bilayer. In general, we find that the mechanical properties depend both on the amount of doping and the presence of surfaces. In very thin (5-nm) silicon carbide bilayers with low hydrogen doping, surface effects induce a substantial softening - by almost an order of magnitude - compared with the same doping in thicker (46-nm) bilayers. These findings are important for informed design of ultrathin films for a host of nano- and quantum technologies, and for improving the switching speed and efficiency of next-generation electronics.

36 MATERIALS SCIENCE↗

Non-Oxidative Ethane Dehydrogenation in a Packed-Bed DBD Plasma Reactor

Abstract Plasma-assisted conversion of ethane (C 2 H 6 ) can produce value-added chemical building blocks using green electricity. Here we employ a simple packed-bed coaxial dielectric barrier discharge (DBD) reactor to convert C 2 H 6 at mild operating conditions unattainable by conventional thermocatalysis. Ethylene (C 2 H 4 ), acetylene (C 2 H 2 ), and methane (CH 4 ) are the main products along with small fractions of C 3 and C 4 hydrocarbons. Interestingly, the C 2 H 4 selectivity is primarily correlated to C 2 H 6 conversion, dominated by electron dissociation and recombination reactions irrespective of the dielectric properties of the packed bed material (SiO 2 , Al 2 O 3 , ZrO 2 , TiO 2 , and BaTiO 3 ), packing material size, supplied power, and C 2 H 6 concentration. While a distortion of the electric field and discharge propagation results in varying dissipated power as materials change, the C 2 H 4 energy yield remains constant. The particle size appears to affect conversion mainly due to pressure alterations. Pd/SiO 2 catalyst can change the selectivity, favoring saturated species by expending hydrogen.

Engineering↗

Quasiparticle and Optical Properties of Carrier-Doped Monolayer MoTe 2 from First Principles

The intrinsic weak and highly nonlocal dielectric screening of two-dimensional materials is well-known to lead to high sensitivity of their optoelectronic properties to environment. Less studied theoretically is the role of free carriers in those properties. In this report we use ab initio GW and Bethe-Salpeter equation calculations, with a rigorous treatment of dynamical screening and local-field effects, to study the doping dependence of the quasiparticle and optical properties of a monolayer transition-metal dichalcogenide, 2H MoTe 2 . Here we predict a quasiparticle band gap renormalization of several hundreds of meV for experimentally attainable carrier densities and a similarly sizable decrease in the exciton binding energy. This results in an almost constant excitation energy for the lowest-energy exciton resonance with an increasing doping density. Using a newly developed and generally applicable plasmon-pole model and a self-consistent solution of the Bethe-Salpeter equation, we reveal the importance of accurately capturing both dynamical and local-field effects to understand detailed photoluminescence measurements.

2D material↗

Sub-diffractional cavity modes of terahertz hyperbolic phonon polaritons in tin oxide

Abstract Hyperbolic phonon polaritons have recently attracted considerable attention in nanophotonics mostly due to their intrinsic strong electromagnetic field confinement, ultraslow polariton group velocities, and long lifetimes. Here we introduce tin oxide (SnO 2 ) nanobelts as a photonic platform for the transport of surface and volume phonon polaritons in the mid- to far-infrared frequency range. This report brings a comprehensive description of the polaritonic properties of SnO 2 as a nanometer-sized dielectric and also as an engineered material in the form of a waveguide. By combining accelerator-based IR-THz sources (synchrotron and free-electron laser) with s-SNOM, we employed nanoscale far-infrared hyper-spectral-imaging to uncover a Fabry–Perot cavity mechanism in SnO 2 nanobelts via direct detection of phonon-polariton standing waves. Our experimental findings are accurately supported by notable convergence between theory and numerical simulations. Thus, the SnO 2 is confirmed as a natural hyperbolic material with unique photonic properties essential for future applications involving subdiffractional light traffic and detection in the far-infrared range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nonlinear ion transport mediated by induced charge in ultrathin nanoporous membranes

Ultrathin membranes with nanoporous conduits show promise for ionic separations and desalination applications, but the mechanisms underlying the nonlinear ionic transport observed in these systems are not well understood. Here, in this work, we demonstrate how induced charge at membrane interfaces can lead to nonlinear ionic transport and voltage-dependent conductance through such channels. The application of an electric field on a polarizable membrane leads to induced charges at the membrane interfaces. The induced charges in turn are screened by diffuse charges in the electrolyte, which are acted upon by the electric field. For extremely thin membranes, the induced charge effect can be significant even for moderate applied voltages commonly used in experiments. We apply a continuum Poisson-Nernst-Planck model to characterize the current-voltage behavior of ultrathin membranes over a wide parameter space. The predictions of the model are compared to recent experiments on graphene and MoS 2 membranes in an electric field. We expect the role of induced charge to be especially pronounced in the limit of atomically thin membranes.

36 MATERIALS SCIENCE↗

High-Density Capacitive Energy Storage in Low-Dielectric-Constant Polymer PMMA/2D Mica Nanofillers Heterostructure Composite

The ubiquitous, rising demand for energy storage devices with ultra-high storage capacity and efficiency has drawn tremendous research interest in developing energy storage devices. Dielectric polymers are one of the most suitable materials used to fabricate electrostatic capacitive energy storage devices with thin-film geometry with high power density. In this work, we studied the dielectric properties, electric polarization, and energy density of PMMA/2D Mica nanocomposite capacitors where stratified 2D nanofillers are interfaced between the multiple layers of PMMA thin films using two heterostructure designs of the capacitors, PMMA/2D Mica/PMMA (PMP) and PMMA/2D Mica/PMMA/2D Mica/PMMA (PMPMP). The incorporation of a 2D Mica nanofiller in the low-dielectric-constant PMMA leads to an enhancement in the dielectric constant, with ∆ε ~ 15% and 53% for PMP and PMPMP heterostructures at room temperature. Additionally, a significant improvement in discharged energy density was measured for the PMPMP capacitor (Ud ~ 38 J/cm3 at 825 MV/m) compared to the pristine PMMA (Ud ~ 9.5 J/cm3 at 522 MV/m) and PMP capacitors (Ud ~ 19 J/cm3 at 740 MV/m). This excellent capacitive and energy storage performance of the PMMA/2D Mica heterostructure nanocomposite may inform the fabrication of thin-film, high-density energy storage capacitor devices for potential applications in various platforms.

Biochemistry & Molecular Biology↗

A Reconfigurable Planar Capacitor Sensor for Thru the Jacket Dielectric Constant Measurement of Cable Insulation

Planar capacitor sensors have been proposed to measure the aging-related dielectric constant variation of the jacket or insulation materials of cables. Although capacitor sensors have been used to monitor the aging of cable insulation by removing the jacket, through the jacket measurement of cable insulation dielectric constant variation is difficult because once the sensor is placed on the jacket it would either measure the aging of the jacket or that of the jacket and insulation together. A reconfigurable sensor along with innovative cable-specific models could be used to determine the jacket and insulation aging using the same sensor. For the proposed novel reconfigurable sensor, the electric field penetration depth is changed by activating and deactivating PIN diode switches. In one instance, the sensor measures the dielectric constant variation of the jacket, while in the next, it measures the dielectric constant variation of both the jacket and the insulation. Here, by leveraging previously developed capacitance estimation models from large-scale finite element simulations for a specific cable, these two sets of measurement data are used to evaluate the aging-related dielectric constant variation of the insulation. Experimental data from aged cable specimens are presented to demonstrate the operation of the sensor.

47 OTHER INSTRUMENTATION↗

Quantum annealing-aided design of an ultrathin-metamaterial optical diode

Abstract Thin-film optical diodes are important elements for miniaturizing photonic systems. However, the design of optical diodes relies on empirical and heuristic approaches. This poses a significant challenge for identifying optimal structural models of optical diodes at given wavelengths. Here, we leverage a quantum annealing-enhanced active learning scheme to automatically identify optimal designs of 130 nm-thick optical diodes. An optical diode is a stratified volume diffractive film discretized into rectangular pixels, where each pixel is assigned to either a metal or dielectric. The proposed scheme identifies the optimal material states of each pixel, maximizing the quality of optical isolation at given wavelengths. Consequently, we successfully identify optimal structures at three specific wavelengths (600, 800, and 1000 nm). In the best-case scenario, when the forward transmissivity is 85%, the backward transmissivity is 0.1%. Electromagnetic field profiles reveal that the designed diode strongly supports surface plasmons coupled across counterintuitive metal–dielectric pixel arrays. Thereby, it yields the transmission of first-order diffracted light with a high amplitude. In contrast, backward transmission has decoupled surface plasmons that redirect Poynting vectors back to the incident medium, resulting in near attenuation of its transmission. In addition, we experimentally verify the optical isolation function of the optical diode.

36 MATERIALS SCIENCE↗

Optical analogues to the equatorial Kerr–Newman black hole

Optical analogues to black holes allow the investigation of general relativity in a laboratory setting. Previous works have considered analogues to Schwarzschild black holes in an isotropic coordinate system; the major drawback is that required material properties diverge at the horizon. We present the dielectric permittivity and permeability tensors that exactly reproduce the equatorial Kerr–Newman metric, as well as the gradient-index material that reproduces equatorial Kerr–Newman null geodesics. Importantly, the radial profile of the scalar refractive index is finite along all trajectories except at the point of rotation reversal for counter-rotating geodesics. Construction of these analogues is feasible with available ordinary materials. A finite-difference frequency-domain solver of Maxwell’s equations is used to simulate light trajectories around a variety of Kerr–Newman black holes. For reasonably sized experimental systems, ray tracing confirms that null geodesics can be well-approximated in the lab, even when allowing for imperfect construction and experimental error.

79 ASTRONOMY AND ASTROPHYSICS↗

Surface ionization waves propagating over non-planar substrates: wavy surfaces, cut-pores and droplets

Atmospheric pressure plasmas intersecting with dielectric surfaces will often transition into surface ionization waves (SIWs). Several applications of these discharges are purposely configured to be SIWs. During propagation of an SIW over a dielectric surface, the plasma charges the surface while responding to changes in geometrical and electrical material properties. This is particularly important for non-planar surfaces where polarization of the dielectric results in local electric field enhancement. In this paper, we discuss results from computational investigations of negative and positive SIWs propagating over nonplanar dielectrics in three configurations—wavy surfaces, cuts through porous materials and water droplets on flat surfaces. Here we found that negative SIWs are particularly sensitive to the electric field enhancement that occurs at the crests of non-planar surfaces. The local increase in ionization rates by the electric field enhancement can result in the SIW detaching from the surface, which produces non-uniform plasma exposure of the surface. Positive SIWs tend to adhere to the surface to a greater degree. These trends indicate that treatment of pathogen containing droplets on surfaces may be best performed by positive SIWs. The same principles apply to the surfaces cut through pores. Buried pores with small openings to the SIW may be filled by plasma by either flow of plasma into the pore (large opening) or initiated by photoionization (small opening), depending on the size of the opening compared to the Debye length.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Perovskite relaxor-PBTI03 based ferroelectric ceramics with ultrahigh dielectric and piezoelectric properties through polar nanoregions engineering

Embodiments of the invention can be directed to controlling and/or engineering the size and/or volume of polar nanoregions (PNRs) of ferroelectric polycrystalline material systems. Some embodiments can achieved this via composition modifications to cause changes in the PNRs and/or local structure. Some embodiments can be used to control and/or engineer dielectric, piezoelectric, and/or electromechanical properties of polycrystalline materials. Controlling and/or engineering the PNRs may facilitate improvements to the dielectric, piezoelectric, and/or electromechanical properties of materials. Controlling and/or engineering the PNRs may further facilitate generating a piezoelectric material that may be useful for many different piezoelectric applications.

Li, Fei↗

A database of refractive indices and dielectric constants auto-generated using ChemDataExtractor

The ability to auto-generate databases of optical properties holds great potential for advancing optical research, especially with regards to the data-driven discovery of optical materials. An optical property database of refractive indices and dielectric constants is presented, which comprises a total of 49,076 refractive index and 60,804 dielectric constant data records on 11,054 unique chemicals. The database was auto-generated using the state-of-the-art natural language processing software, ChemDataExtractor, using a corpus of 388,461 scientific papers. The data repository offers a representative overview of the information on linear optical properties that resides in scientific papers from the past 30 years. Public availability of these data will enable a quick search for the optical property of certain materials. The large size of this repository will accelerate data-driven research on the design and prediction of optical materials and their properties. To the best of our knowledge, this is the first auto-generated database of optical properties from a large number of scientific papers. We provide a web interface to aid the use of our database.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Tuning superconductivity of Bi 2 Sr 2 CaCu 2 O 8+x by fluoride ion intercalation with LaF 3 gate dielectric

Here, we demonstrate fluorine intercalation into Bi 2 Sr 2 CaCu 2 O 8+x (BSCCO) flakes, as thick as 100 nm, by back-gating a single crystalline LaF 3 substrate. Element-sensitive analysis not only confirms the presence of fluorine in BSCCO after gating but also reveals lateral diffusion of fluorine in BSCCO. Transport measurements further demonstrate the hole-doping effect of fluoride ions in BSCCO through effective modulation of the superconducting transitions. Our work introduces a distinct type of ions (F - ) that can be intercalated into materials via solid state back-gating. It broadens the toolbox of ion back-gating and is useful for addressing exotic phenomena in the heavily hole doped regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Investigating Low Loss Substrates for Improved Qubit Coherence Times

Superconducting qubits are sensitive to dielectric losses from substrates, making the identification, optimization, and preparation of low-loss materials essential for enhancing qubit coherence times. In this work, we utilize Nb superconducting radio-frequency (SRF) cavities as a high-precision measurement tool to study the dielectric loss tangent of substrates with parts-per-billion sensitivity. This technique enables temperature- and field-resolved measurements, providing deep insights into the behavior of candidate materials such as sapphire and silicon. We explore the impact of substrate preparation techniques, examining how surface treatments and cleaning protocols influence dielectric loss. These studies highlight both the microscopic origins of loss in these substrates and the critical role of preparation methods, helping to identify key materials and processes that minimize dielectric loss, crucial for improving qubit performance.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Design of a Nanophotonic Hybrid Coupler

This project aims to design and simulate a nanophotonic hybrid coupler for detecting vacuum ultraviolet (VUV) light with higher efficiency. VUV light is of significant interest because of its applications ranging from high energy physics to space science and electronic industry. However, current VUV photodetectors have very low efficiencies because most materials absorb in the VUV region (100-200 nm). To address this challenge, I have designed a plasmonic-dielectric coupler with wavelength shifting properties, enabling high Purcell enhancement and far-field confinement. The coupler consists of a cylindrical cSi resonator on top of a thin ZnO layer, and Ag and SiO2 are used as substrates. Simulations are done using the finite-difference time domain method to solve Maxwell’s equations, and specifically with Meep and Lumerical. The effectiveness of the coupler is characterized by the Purcell factor and far-field radiation. The Purcell factor reaches a maximum near 390 nm and is in the o rder of 10^4. Furthermore, the coupler also allows partial control of the directionality of the far-field radiation. With the presence of the resonator, the radiation is directed towards the coupled metalens. Overall, our design combines the advantages of plasmonic and dielectric couplers, along with the intrinsic wavelength shifting properties of materials to enhance VUV detection significantly, and such a device can be used in, for example, the DUNE project.

Zhou, Jiayang↗

Multiscale structural analysis of polymorphic phase boundaries in doped antiferroelectric sodium niobate

In the current work, we have performed multiscale structural analysis of a Pb-free sodium niobate-based smart system, i.e., 0.9⁢NaNbO 3 –0.1⁢Ba 0.9 ⁢Ca 0.1 ⁢TiO 3 (NN-10BCT) reported earlier for its high ferroelectric response. We have investigated the temperature-dependent evolution of crystal structure at long, medium, and short ranges using synchrotron x-ray diffraction (SXRD), Raman scattering, and pair distribution function(PDF) techniques in conjunction with dielectric studies. Temperature-dependent synchrotron x-ray diffraction data combined with dielectric analysis suggest two unique polymorphic phase boundaries (PPB) with two coexisting ferroelectric phases stable in the wide temperature ranges. These PPBs are stable in different regions viz. (i) cryogenic temperatures with coexisting R3c and Pmc⁢2 1 phases (ii) vicinity of room temperatures with coexisting Pmc⁢2 1 and Amm2 phases. In contrast to the conclusions drawn from SXRD, PDF reveals structures having lower symmetry (with coexisting Cc+ Pmc2 1 phases at 1.7 ≤r≤ 20 Å) at short ranges for these PPBs. In conclusion, the presence of different long- and short-range symmetries (accommodating tilt-oriented ferroelectric phases) in the unique polymorphic phase boundaries makes them thermally stable and advantageous for technological applications.

36 MATERIALS SCIENCE↗