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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Imaging moiré excited states with photocurrent tunnelling microscopy

Moiré superlattices provide a highly tuneable and versatile platform to explore novel quantum phases and exotic excited states ranging from correlated insulators to moiré excitons. Scanning tunnelling microscopy has played a key role in probing microscopic behaviours of the moiré correlated ground states at the atomic scale. However, imaging of quantum excited states in moiré heterostructures remains an outstanding challenge. In this report we develop a photocurrent tunnelling microscopy technique that combines laser excitation and scanning tunnelling spectroscopy to directly visualize the electron and hole distribution within the photoexcited moiré exciton in twisted bilayer WS 2 . The tunnelling photocurrent alternates between positive and negative polarities at different locations within a single moiré unit cell. This alternating photocurrent originates from the in-plane charge transfer moiré exciton in twisted bilayer WS 2 , predicted by our GW-Bethe–Salpeter equation calculations, that emerges from the competition between the electron–hole Coulomb interaction and the moiré potential landscape. Our technique enables the exploration of photoexcited non-equilibrium moiré phenomena at the atomic scale.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Molecular coupling competing with defects within insulator of the magnetic tunnel junction-based molecular spintronics devices

Nearly 70 years old dream of incorporating molecule as the device element is still challenged by competing defects in almost every experimentally tested molecular device approach. This paper focuses on the magnetic tunnel junction (MTJ) based molecular spintronics device (MTJMSD) method. An MTJMSD utilizes a tunnel barrier to ensure a robust and mass-producible physical gap between two ferromagnetic electrodes. MTJMSD approach may benefit from MTJ's industrial practices; however, the MTJMSD approach still needs to overcome additional challenges arising from the inclusion of magnetic molecules in conjunction with competing defects. Molecular device channels are covalently bonded between two ferromagnets across the insulating barrier. An insulating barrier may possess a variety of potential defects arising during the fabrication or operational phase. This paper describes an experimental and theoretical study of molecular coupling between ferromagnets in the presence of the competing coupling via an insulating tunnel barrier. We discuss the experimental observations of hillocks and pinhole-type defects producing inter-layer coupling that compete with molecular device elements. We performed theoretical simulations to encompass a wide range of competition between molecules and defects. Monte Carlo Simulation (MCS) was used for investigating the defect-induced inter-layer coupling on MTJMSD. Our research may help understand and design molecular spintronics devices utilizing various insulating spacers such as aluminum oxide (AlOx) and magnesium oxide (MgO) on a wide range of metal electrodes. This paper intends to provide practical insights for researchers intending to investigate the molecular device properties via the MTJMSD approach and do not have a background in magnetic tunnel junction fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tunnel oxide passivating contact enabled by polysilicon on ultra-thin SiO 2 for advanced silicon radiation detectors

Conventional silicon junction detectors encounter significant carrier recombination within the heavily doped p⁺ and n⁺ layers, as well as beneath the metal contact regions, creating the so-called “dead layers”, especially on the detector side. In this study, we present the tunnel oxide passivating contact with doped polysilicon on oxide, which demonstrates exceptional surface passivation and carrier selectivity. The key innovation lies in an ultra-thin (~ 1.5 nm) interfacial oxide layer that facilitates efficient majority carrier transportation via tunneling while effectively block minority carriers. Remarkably low saturation current densities, ranging from 5 to 10 fA/cm² even with the metal contact, underscore the superiority of both n-type and p-type tunnel oxide passivating contacts. In contrast, conventional p–n junction or high-low junction exhibit saturation current densities ranging from 10 to 90 fA/cm² in the studied p⁺ and n⁺ layers with surface passivation schemes due to Auger recombination and surface recombination, and 1000–6000 fA/cm² with metal contacts due to intense metal-induced recombination at the interface. These findings indicate the potential and superiority of implementing n-type tunnel oxide passivating contact on the detector side and p-type contact on the back side for advanced silicon radiation detectors. This approach would enable thorough collection of generated charge carriers along the track of incident ionizing radiation particles, leading to improved energy resolution and reduced noise levels.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Planar tunneling spectroscopy on van der Waals superconductors with AlO x junction grown by atomic layer deposition

Here, we demonstrate a method for fabricating a high-quality AlO x -based planar tunnel junction using atomic layer deposition, integrated with the exfoliation and transfer techniques for van der Waals (vdW) materials. The tunneling spectroscopy results on exfoliated Bi 2 Sr 2 CaCu 2 O 8+δ and 2H-NbSe 2 vdW superconductors are highly consistent with that obtained by ultrahigh vacuum scanning tunneling spectroscopy on atomically clean surfaces. The planar tunneling devices enable high-precision spectroscopy over a wide range of temperatures and magnetic fields and reveal novel features and stark contrast between high-T C cuprates and conventional superconductors. This method represents a universally applicable technique for probing the electronic structure of various two-dimensional vdW materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Photovoltaic effect on silicon–alumina–ferromagnet tunnel junction providing insights about spin-dependent molecular spintronics solar cells

The study focuses on the observation of the photovoltaic (PV) effect on Si/AlOx/FM semiconductor–insulator–ferromagnetic metal (SIFM) structure. Utilization of ~10 nm NiFe film as the top ferromagnet (FM) layer was permeable for sufficient light radiation necessary for reaching the silicon substrate for the generation of electron–hole pairs upon photoexcitation. The effect of light intensity and magnetic field was studied on the SIFM’s PV response. We also investigated the role of silicon doping and the AlOx tunnel barrier between Si and FM in exploring suitable band bending necessary for separating the electron–hole pairs. Increasing the dopant density in Si and a damaged AlOx tunnel barrier quenched the PV effect. Ferromagnet/Insulator/Ferromagnet (FMIFM) was also studied to gain deeper mechanistic insights into the spin-dependent photovoltaic effect observed on FM/AlOx/FM tunnel junction-based molecular spintronics devices. Bridging of magnetic molecules between the Si and FM electrodes of SIFM increased the overall device current by establishing additional parallel conduction channels along with the AlOx tunnel barrier. However, SIFM with molecular conduction channels did not produce a PV effect. This study reported the PV effect on well-designed SIFM and opened possibilities for exploring new systems. More importantly, this paper provided insights into the role of molecule-induced exchange coupling in transforming an ordinary, cheap, and widely available ferromagnet into a semiconductor-like material capable of showing PV.

14 SOLAR ENERGY↗
DOE OSTI2020

Electron Tunneling and X-Ray Photoelectron Spectroscopy Studies of the Superconducting Properties of Nitrogen-Doped Niobium Resonator Cavities

Scanning tunneling microscopy and spectroscopy and X-ray photoelectron spectroscopy (XPS) have been used to investigate the differences between the surface electronic structures and chemical structure of typically prepared and N-doped Nb cutouts from superconducting radio frequency (SRF) cavities. The goal of this work is to get insights into the fundamental physics and materials mechanisms behind the striking decrease of the surface resistance with the radiofrequency magnetic field, which has been observed by many groups on N-doped Nb cavities. In particular, we address the effects of N-doping on the superconducting properties at the surface of SRF cavities. XPS measurements reveal a significantly more oxidized Nb 3d states on the N-doped Nb surfaces which is confirmed by tunneling spectroscopy measurements. Analysis of the tunneling spectra in the framework of a recent model (A. Gurevich and T. Kubo Phys. Rev. B 96, 184515 (2017)) shows that the N-doping greatly reduces local distribution of superconducting properties on the surface, causes a significant shrinkage of the metallic suboxide and changes the contact resistance between the metallic suboxide and the bulk niobium toward an optimum value, resulting in a lower surface resistance. Combination of these factors enables one to effectively tune the density of states at the surface and to reveal the decrease of the surface resistance with the radio frequency field which follows from the BCS theory. A slightly reduced average gap and a smaller coherence length, revealed by tunneling spectroscopy in the vortex cores, have been found in the N-doped Nb samples compared to typically prepared Nb samples, indicating a stronger impurity scattering caused by nitrogen doping in a moderately disordered material.

Lechner, Eric M.↗
DOE OSTI2020

H-Canyon exhaust tunnel LiDAR data request for information review and release

This request is to release LiDAR data files acquired by SRNL R&D Engineering and H-Area Operations and Engineering while performing scans of the interior of the H-Canyon Exhaust tunnel. LiDAR data includes 3-dimensional (3D) point cloud data sets and panoramic digital images of the interior tunnel wall surfaces. Presently two deployments have been completed, the first in November 2019, Fig. 1, and the second in June of 2020. This request is for the release of the data collected during those two deployments. Detailed information on the deployment and data collected can be found in SRS document C-ESR-H-00072, “November 2019 Initial Deployment of LiDAR”. It is planned to perform ongoing scans at approximately 6-month intervals, the purpose of the deployments is to evaluate the usefulness of the data collected to enable quantitative measurements such as tunnel dimensions and rate of surface erosion and as a precursor to a potential deployment of a LiDAR system on the tunnel inspection crawler.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Numerical Simulation of Infrasound Resonance in Underground Tunnel Structures

Remote observation of infrasound resonant signals emanating from underground tunnel structures could potentially allow the remote quantification of the geometry of the underground structures in which the signals were generated. However, the sensitivity of these observations to tunnel geometry and changes in that geometry are unknown. In this report we outline a numerical simulation study with the following three objectives: 1. Can we model infrasound resonance using numerical simulations? 2. What is the sensitivity of the modeled observations to changes in tunnel geometry or boundary conditions? And 3. Can we accurately model resonant observations of explosions occurring in Redmond Salt Mine in Central Utah. In this report we outline affirmative answers to the first two objectives, but we were unable to accurately model the Redmond Explosions due to numerical instability in the model of the complex structure of the mine. Recommendations for future work emphasize the need to acquire additional datasets and to explore a more data-based approach in which changes in data signatures are detected as a first step towards developing a method which inverts resonant infrasound signals for tunnel geometry.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Engineering Tunneling Selector to Achieve High Non-linearity for 1S1R Integration

Memristor devices have been extensively studied as one of the most promising technologies for next-generation non-volatile memory. However, for the memristor devices to have a real technological impact, they must be densely packed in a large crossbar array (CBA) exceeding Gigabytes in size. Devising a selector device that is CMOS compatible, 3D stackable, and has a high non-linearity (NL) and great endurance is a crucial enabling ingredient to reach this goal. Tunneling based selectors are very promising in these aspects, but the mediocre NL value limits their applications in large passive crossbar arrays. In this work, we demonstrated a trilayer tunneling selector based on the Ge/Pt/TaN 1+x /Ta 2 O 5 /TaN 1+x /Pd layers that could achieve a NL of 3 × 10 5 , which is the highest NL achieved using a tunnel selector so far. The record-high tunneling NL is partially attributed to the bottom electrode's ultra-smoothness (BE) induced by a Ge/Pt layer. We further demonstrated the feasibility of 1S1R (1-selector 1-resistor) integration by vertically integrating a Pd/Ta 2 O 5 /Ru based memristor on top of the proposed selector.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Lattice-Renormalized Tunneling Models for Superconducting Qubit Materials

We present a lattice-renormalized formalism for configurational tunneling two-level systems (TLS) that overcomes limitations of minimum-energy-path and light-particle models. Derived from the nuclear Hamiltonian, our formulation introduces composite phonon coordinates to capture lattice distortions between degenerate potential wells. This approach resolves deficiencies in prior models and enables accurate computation of tunnel splittings and excitation spectra for hydrogen-based TLS in bcc Nb. Our results bound experimental tunnel splittings and reveal strong anharmonic couplings between tunneling atoms and lattice phonons, establishing a direct link between TLS dynamics and phonon-mediated strain interactions. The formalism further generalizes to multi-level systems (MLS), providing insight into defect-induced decoherence in superconducting qubits and guiding strategies for materials design to suppress TLS-related loss.

Pritchard, P. G. [Northwestern U.]↗
DOE OSTI2020

Tunneling electroresistance effects in epitaxial complex oxides on silicon

Complex oxide-based ferroelectric tunnel junctions (FTJs) show excellent nonvolatile memory characteristics promising for emerging technology. However, integration of these epitaxially grown FTJs electrically with a silicon substrate remains challenging due to their incompatible lattice structures and poor electronic interfaces resulting from the direct synthesis techniques. Here, we present an epitaxial SrRuO 3 /PbZr 0.2 Ti 0.8 O 3 /SrRuO 3 FTJ integrated electrically with a doped silicon substrate after a layer transfer process. The tunnel currents of the FTJ on silicon show a large tunneling electroresistance (~1×10 5 %) effect, which is explained by a numerical FTJ model incorporating pinned dipoles at the interfaces. This proof of concept of the integration of functional oxide heterostructures with silicon opens a pathway to beyond-CMOS computing devices using unconventional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Massless charged particles tunneling radiation from a RN-dS horizon and the linear and quadratic GUP

Highlights: • Generalized Uncertainty Principle (GUP). • Reissner–Nordstrom de Sitter (RNdS) spacetime. • Massless charged particles. • Tunneling through cosmological horizon. • Tunneling of spin fields. In this paper, we investigate the massless Reissner–Nordstrom de Sitter metric in the context of minimal length scenarios. We prove not only the confinement of the energy density of massless charged particles, both fermions and bosons, but also their ability to tunnel through the cosmological horizon. These massless particles might be interacting with Dirac sea and in this case they will appear outside the cosmological horizon in the context of dS/CFT holography. This result may formulate a fundamental reason for the expansion of the Dirac sea. Therefore, a spacetime Big Crunch may occur.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Scanning tunneling microscope tip-induced formation of Bi bilayers on Bi 2 Te 3

We report the formation of Bi(111) bilayer islands and crater structures on Bi 2 Te 3 (111) surfaces induced by voltage pulses from a scanning tunneling microscope tip. Pulses above a threshold voltage (+3 V) produce craters ∼0.5μm in diameter, similar to the size of the tip. Redeposited material self-assembles into a network of atomically ordered islands with a lattice constant identical to the underlying Bi2Te3 surface. The island size monotonically decreases over several micrometers from the pulse site, until the pristine Bi 2 Te 3 surface is recovered. We assign these islands to Bi bilayer based on atomic resolution images, analysis of step heights, and tunneling spectroscopy. Here, the dependence of bilayer formation on bias polarity and the evidence for defect diffusion together suggest a mechanism driven by the interplay of field evaporation and tunneling-current-induced Joule heating.

Bi bilayer↗
DOE OSTI2026

Nuclear–Electronic Orbital General Rate Theory: Predicting Hydrogen Kinetic Isotope Effects in the Deep Tunneling Regime

Hydrogen transfer is a critical component of many chemical and biological processes. The ratio of rate constants for hydrogen and deuterium transfer defines the H/D kinetic isotope effect (KIE), which is a powerful tool for elucidating hydrogen transfer mechanisms. Interpretation of experimental H/D KIEs relies on accurate and affordable computational methods. However, due to their light mass, hydrogen and deuterium can undergo tunneling, which is challenging to describe in multidimensional molecular systems. Herein, we introduce the nuclear–electronic orbital general rate theory (NEO-GRT), which enables the efficient prediction of H/D KIEs based on full-dimensional molecular quantum chemistry calculations. The NEO-GRT approach describes the hydrogen transfer rate constant with a general expression that spans the vibrationally adiabatic and nonadiabatic hydrogen tunneling regimes. The input quantities are computed using NEO density functional theory, which treats the transferring hydrogen or deuterium nucleus quantum mechanically on the same level as the electrons. We investigate two intramolecular proton transfer reactions in organic molecules at temperatures down to 50 K to evaluate the performance of NEO-GRT by comparison to transition state theory and ring-polymer instanton theory. The KIEs computed with NEO-GRT agree with those calculated using ring-polymer instanton theory for the full-dimensional molecular systems at the same level of electronic structure theory. This agreement indicates that NEO-GRT captures the deep hydrogen tunneling effects, in contrast to transition state theory, which neglects such effects. Given its relatively low computational cost, NEO-GRT is a promising approach for predicting H/D KIEs in large organic and organometallic systems.

Hydrogen↗
DOE OSTI2025

Tunneling Barrier-Integrated Gold Nanofilms for Negative Strain Gauging with Near-Zero Energy Consumption

Wireless strain sensors with minimal power needs are essential for long-term monitoring in energy-limited environments. We present a soft tunneling barrier-integrated gold thin film for negative strain sensing with near-zero energy consumption. The device features a strain-induced transition from an insulating to a metallic state, increasing conductivity by 9 orders of magnitude under a controlled strain. It consists of Au-PDMS-Au nanofilm layers, where the Au structures are near the percolation threshold and the PDMS layer acts as a tunneling barrier. Under strain, thinning due to the Poisson effect lowers the barrier’s potential height, enabling electron tunneling and forming an electrical path. Further, with a standby power consumption of ~10 –5 mW over 10 6 times lower than conventional sensors (~12.5 mW), this device is ideal for real-time, long-term stationary structural monitoring in multiple locations.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Improved wall-plug efficiency of III-nitride tunnel junction micro-light-emitting diodes with AlGaN/GaN polarization charges

The electrical performances of III-nitride blue micro-light-emitting diodes (µLEDs) with different tunnel junction (TJ) epitaxial architectures grown by metalorganic chemical vapor deposition are investigated. A new TJ structure that employs AlGaN is introduced. The current density–voltage characteristic is improved by incorporating AlGaN layer above the n-side of the TJ layer, and the effects of the AlGaN/GaN superlattices is examined. Based upon the data from band diagram simulation, net positive polarization charge is formed at the AlGaN/GaN interface, which results in a reduction in tunneling distance and increase in tunneling probability. Moreover, similar electrical improvement is observed in various device dimensions and is independent of operating current density, suggesting that AlGaN/GaN biaxial tensile strain or current spreading is not the main contribution for the improvement. Finally, the effects on the efficiency performances are determined. While the maximum external quantum efficiency of the TJ devices remains identical, the wall-plug efficiency of µLEDs is enhanced significantly by the proposed AlGaN-enhanced TJ design. This work reveals the possibility of energy efficient TJ contact with high transparency in the visible wavelength range.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Magnetochiral tunneling in paramagnetic Co 1/3 NbS 2

Electric currents have the intriguing ability to induce magnetization in nonmagnetic crystals with sufficiently low crystallographic symmetry. Some associated phenomena include the non-linear anomalous Hall effect in polar crystals and the nonreciprocal directional dichroism in chiral crystals when magnetic fields are applied. In this work, we demonstrate that the same underlying physics is also manifested in the electronic tunneling process between the surface of a nonmagnetic chiral material and a magnetized scanning probe. In the paramagnetic but chiral metallic compound Co 1/3 NbS 2 , the magnetization induced by the tunneling current is shown to become detectable by its coupling to the magnetization of the tip itself. This results in a contrast across different chiral domains, achieving atomic-scale spatial resolution of structural chirality. To support the proposed mechanism, we used first-principles theory to compute the chirality-dependent current-induced magnetization and Berry curvature in the bulk of the material. Our demonstration of this magnetochiral tunneling effect opens up an avenue for investigating atomic-scale variations in the local crystallographic symmetry and electronic structure across the structural domain boundaries of low-symmetry nonmagnetic crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Scanning Tunneling Thermometry

The best spatial resolution so far achieved in thermal imaging is several nanometers, much coarser than routinely achieved for other physical properties. Here we propose a method to map electronic temperature variations in operating nanoscale conductors by relying solely upon electrical tunneling current measurements. The proposed measurement scheme involves two scanning probe operations to measure the conductance and thermopower, respectively. These two measurements are shown to determine the local temperature with high accuracy in nanoscale conductors, where the Wiedemann-Franz law holds quite generally. We report the proposed scanning tunneling thermometer, owing to its operation in the tunneling regime, would be capable of mapping temperature variations with subnanometer resolution, thereby enhancing the resolution of scanning thermometry by some 2 orders of magnitude.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗