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

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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Operando x-ray photoelectron emission microscopy for studying forward and reverse biased silicon p-n junctions

Significant progress in the understanding of surfaces and interfaces of materials for new technologies requires operando studies, i.e., measurement of chemical, electronic, and magnetic properties under external stimulus (such as mechanical strain, optical illumination, or electric fields) applied in situ in order to approach real operating conditions. Electron microscopy attracts much interest, thanks to its ability to determine semiconductor doping at various scales in devices. Spectroscopic photoelectron emission microscopy (PEEM) is particularly powerful since it combines high spatial and energy resolution, allowing a comprehensive analysis of local work function, chemistry, and electronic structure using secondary, core level, and valence band electrons, respectively. Here we present the first operando spectroscopic PEEM study of a planar Si p-n junction under forward and reverse bias. The method can be used to characterize a vast range of materials at near device scales such as resistive oxides, conducting bridge memories and domain wall arrays in ferroelectrics photovoltaic devices.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Influence of the charge trap density distribution in a gate insulator on the positive-bias stress instability of amorphous indium-gallium-zinc oxide thin-film transistors

We investigated the positive-bias stress (PBS) instability of thin film transistors (TFTs) composed of different types of first-gate insulators, which serve as a protection layer of the active surface. Two different deposition methods, i.e., the thermal atomic layer deposition (THALD) and plasma-enhanced ALD (PEALD) of Al{sub 2}O{sub 3}, were applied for the deposition of the first GI. When THALD was used to deposit the GI, amorphous indium-gallium-zinc oxide (a-IGZO) TFTs showed superior stability characteristics under PBS. For example, the threshold voltage shift (ΔV{sub th}) was 0 V even after a PBS time (t{sub stress}) of 3000 s under a gate voltage (V{sub G}) condition of 5 V (with an electrical field of 1.25 MV/cm). On the other hand, when the first GI was deposited by PEALD, the ΔV{sub th} value of a-IGZO TFTs was 0.82 V after undergoing an identical amount of PBS. In order to interpret the disparate ΔV{sub th} values resulting from PBS quantitatively, the average oxide charge trap density (N{sub T}) in the GI and its spatial distribution were investigated through low-frequency noise characterizations. A higher N{sub T} resulted during in the PEALD type GI than in the THALD case. Specifically, the PEALD process on a-IGZO layer surface led to an increasing trend of N{sub T} near the GI/a-IGZO interface compared to bulk GI owing to oxygen plasma damage on the a-IGZO surface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Demonstration of biased membrane static figure mapping by optical beam subpixel centroid shift

The measurement of Casimir forces by means of condenser microphones has been shown to be quite promising since its early introduction almost half-a-century ago. However, unlike the remarkable progress achieved in characterizing the vibrating membrane in the dynamical case, the accurate determination of the membrane static figure under electrostatic bias remains a challenge. In this paper, we discuss our first data obtained by measuring the centroid shift of an optical beam with subpixel accuracy by charge coupled device (CCD) and by an extensive analysis of noise sources present in the experimental setup.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Bias-free spin-wave phase shifter for magnonic logic

A design of a magnonic phase shifter operating without an external bias magnetic field is proposed. The phase shifter uses a localized collective spin wave mode propagating along a domain wall “waveguide” in a dipolarly-coupled magnetic dot array with a chessboard antiferromagnetic (CAFM) ground state. It is demonstrated numerically that the remagnetization of a single magnetic dot adjacent to the domain wall waveguide introduces a controllable phase shift in the propagating spin wave mode without significant change to the mode amplitude. It is also demonstrated that a logic XOR gate can be realized in the same system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Engineered magnetic domain textures in exchange bias bilayer systems

A magnetic domain texture has been deterministically engineered in a topographically flat exchange-biased (EB) thin film system. The texture consists of long-range periodically arranged unit cells of four individual domains, characterized by individual anisotropies, individual geometry, and with non-collinear remanent magnetizations. The texture has been engineered by a sequence of light-ion bombardment induced magnetic patterning of the EB layer system. The magnetic texture's in-plane spatial magnetization distribution and the corresponding domain walls have been characterized by scanning electron microscopy with polarization analysis (SEMPA). The influence of magnetic stray fields emerging from neighboring domain walls and the influence of the different anisotropies of the adjacent domains on the Néel type domain wall core's magnetization rotation sense and widths were investigated. It is shown that the usual energy degeneracy of clockwise and counterclockwise rotating magnetization through the walls is revoked, suppressing Bloch lines along the domain wall. Estimates of the domain wall widths for different domain configurations based on material parameters determined by vibrating sample magnetometry were quantitatively compared to the SEMPA data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Thermoacoustic and thermoreflectance imaging of biased integrated circuits: Voltage and temperature maps

In this work a combined thermoacoustic and thermoreflectance set-up was designed for imaging biased microelectronic circuits. In particular, it was used with polycrystalline silicon resistive tracks grown on a monocrystalline Si substrate mounted on a test chip. Thermoreflectance images, obtained by scanning a probe laser beam on the sample surface, clearly show the regions periodically heated by Joule effect, which are associated to the electric current distribution in the circuit. The thermoacoustic signal, detected by a pyroelectric/piezoelectric sensor beneath the chip, also discloses the Joule contribution of the whole sample. However, additional information emerges when a non-modulated laser beam is focused on the sample surface in a raster scan mode allowing imaging of the sample. The distribution of this supplementary signal is related to the voltage distribution along the circuit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Simulation of temperature dependent dielectric breakdown in n{sup +}-polySi/SiO{sub 2}/n-6H-SiC structures during Poole-Frenkel stress at positive gate bias

We present for the first time a thorough investigation of trapped-hole induced gate oxide deterioration and simulation results of time-dependent dielectric breakdown (TDDB) of thin (7–25 nm) silicon dioxide (SiO{sub 2}) films thermally grown on (0 0 0 1) silicon (Si) face of n-type 6H-silicon carbide (n-6H-SiC). Gate oxide reliability was studied during both constant voltage and current stress with positive bias on the degenerately doped n-type poly-crystalline silicon (n{sup +}-polySi) gate at a wide range of temperatures between 27 and 225 °C. The gate leakage current was identified as the Poole-Frenkel (PF) emission of electrons trapped at an energy 0.92 eV below the SiO{sub 2} conduction band. Holes were generated in the n{sup +}-polySi anode material as well as in the oxide bulk via band-to-band ionization depending on the film thickness t{sub ox} and the energy of the hot-electrons (emitted via PF mechanism) during their transport through oxide films at oxide electric fields E{sub ox} ranging from 5 to 10 MV/cm. Our simulated time-to-breakdown (t{sub BD}) results are in excellent agreement with those obtained from time consuming TDDB measurements. It is observed that irrespective of stress temperatures, the t{sub BD} values estimated in the field range between 5 and 9 MV/cm better fit to reciprocal field (1/E) model for the thickness range studied here. Furthermore, for a 10 year projected device lifetime, a good reliability margin of safe operating field from 8.5 to 7.5 MV/cm for 7 nm and 8.1 to 6.9 MV/cm for 25 nm thick SiO{sub 2} was observed between 27 and 225 °C.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Reverse-bias-driven dichromatic electroluminescence of n-ZnO wire arrays/p-GaN film heterojunction light-emitting diodes

Position-controlled n-ZnO microwire (MW) and nanowire-bundle (NW-B) arrays were fabricated using hydrothermal growth of ZnO on a patterned p-GaN film. Both the wire/film p–n heterojunctions showed electrical rectification features at reverse-bias (rb) voltages, analogous to backward diodes. Dichromatic electroluminescence (EL) emissions with 445- and 560-nm-wavelength peaks displayed whitish-blue and greenish-yellow light from MW- and NW-B-based heterojunctions at rb voltages, respectively. The different dichromatic EL emission colors were studied based on photoluminescence spectra and the dichromatic EL peak intensity ratios as a function of the rb voltage. The different EL colors are discussed with respect to depletion thickness and electron tunneling probability determined by wire/film junction geometry and size.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Zero bias anomaly in Andreev reflection spectroscopy

Zero bias anomalies have been observed in point contact Andreev reflection spectroscopy using conventional superconductors, and they cannot be suppressed by a highly spin-polarized current. By systematically varying the size of the point contact, the anomalies are found to be evolved from conductance dips outside the superconducting gap. Furthermore, these anomalies, which depend on the size of the interface, are not intrinsic to the superconductors but due to a large resistance change when the contact region is driven to normal by an Oersted field.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Markov state models from short non-equilibrium simulations—Analysis and correction of estimation bias

To begin, many state-of-the-art methods for the thermodynamic and kinetic characterization of large and complex biomolecular systems by simulation rely on ensemble approaches, where data from large numbers of relatively short trajectories are integrated. In this context, Markov state models (MSMs) are extremely popular because they can be used to compute stationary quantities and long-time kinetics from ensembles of short simulations, provided that these short simulations are in “local equilibrium” within the MSM states. However, over the last 15 years since the inception of MSMs, it has been controversially discussed and not yet been answered how deviations from local equilibrium can be detected, whether these deviations induce a practical bias in MSM estimation, and how to correct for them. In this paper, we address these issues: We systematically analyze the estimation of MSMs from short non-equilibrium simulations, and we provide an expression for the error between unbiased transition probabilities and the expected estimate from many short simulations. We show that the unbiased MSM estimate can be obtained even from relatively short non-equilibrium simulations in the limit of long lag times and good discretization. Further, we exploit observable operator model (OOM) theory to derive an unbiased estimator for the MSM transition matrix that corrects for the effect of starting out of equilibrium, even when short lag times are used. Finally, we show how the OOM framework can be used to estimate the exact eigenvalues or relaxation time scales of the system without estimating an MSM transition matrix, which allows us to practically assess the discretization quality of the MSM. Applications to model systems and molecular dynamics simulation data of alanine dipeptide are included for illustration. The improved MSM estimator is implemented in PyEMMA of version 2.3.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Development of reactive force fields using ab initio molecular dynamics simulation minimally biased to experimental data

Incorporation of quantum mechanical electronic structure data is necessary to properly capture the physics of many chemical processes. Proton hopping in water, which involves rearrangement of chemical and hydrogen bonds, is one such example of an inherently quantum mechanical process. Standard ab initio molecular dynamics (AIMD) methods, however, do not yet accurately predict the structure of water and are therefore less than optimal for developing force fields. We have instead utilized here a recently developed method which minimally biases AIMD simulations to match limited experimental data to develop novel multiscale reactive molecular dynamics (MS-RMD) force fields by using relative entropy minimization. In this paper, we present two new MS-RMD models using such a parameterization: one which employs water with harmonic internal vibrations and another which uses anharmonic water. We show that the newly developed MS-RMD models very closely reproduce the solvation structure of the hydrated excess proton in the target AIMD data. We also find that the use of anharmonic water increases proton hopping, thereby increasing the proton diffusion constant.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Stabilization and control of topological magnetic solitons via magnetic nanopatterning of exchange bias systems

Stabilizing and manipulating topological magnetic quasiparticles in thin films is of great interest for potential applications in data storage and information processing. Here, we present a strategy for stabilizing magnetic vortices and Bloch lines with controlled position, vorticity, and chirality in a continuous exchange bias system. By tailoring vectorially the unidirectional anisotropy of the system at the nanoscale, via thermally assisted magnetic scanning probe lithography, we show experimentally and via micromagnetic simulations the non-volatile creation of vortex-antivortex pairs. In addition, we demonstrate the deterministic stabilization of cross and circular Bloch lines within patterned Néel magnetic domain walls. This work enables the implementation of complex functionalities based on the control of tailored topological spin-textures in spintronic and magnonic nanodevices.

Magnetic ordering↗
DOE OSTI2019

Mode rotation control in a tokamak with a feedback-driven biased electrode

Rotation of the plasma and MHD modes in tokamaks has been shown to stabilize resistive wall and tearing modes as well as improve confinement through suppression of edge turbulence. In this work, we control mode rotation with a biased electrode inserted into the plasma of the High Beta Tokamak-Extended Pulse’s facility in conjunction with its active GPU (Graphical Processing Unit) feedback system. We first characterize a negative linear relationship between the electrode voltage and mode rotation. Using this relationship, we design, simulate, and implement a proof-of-concept, GPU-based active-control system, which shows consistent success in controlling mode rotation in both feedforward and feedback operation. Controllability is limited by operating conditions, the electrode’s voltage range, and by the electrode’s proximity to the vessel’s walls. The final control system has a 15 μs cycle time, but the addition of various signal filters results in a full cycle latency of 200 μs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

High quality epitaxial thin films and exchange bias of antiferromagnetic Dirac semimetal FeSn

FeSn is a topological semimetal (TSM) and kagome antiferromagnet (AFM) composed of alternating Fe 3 Sn kagome planes and honeycomb Sn planes. This unique structure gives rise to exotic features in the band structures such as the coexistence of Dirac cones and flatbands near the Fermi level, fully spin-polarized 2D surface Dirac fermions, and the ability to open a large gap in the Dirac cone by reorienting the Néel vector. In this paper, we report the synthesis of high-quality epitaxial (0001) FeSn films by magnetron sputtering. Using FeSn/Py heterostructures, we show a large exchange bias effect that reaches an exchange field of 220 Oe at 5 K, providing unambiguous evidence of antiferromagnetism and strong interlayer exchange coupling in our films. Field cycling studies show steep initial training effects, highlighting the complex magnetic interactions and anisotropy. Importantly, our work provides a simple, alternative means to fabricate FeSn films and heterostructures, making it easier to explore the topological physics of AFM TSMs and develop FeSn-based spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A unified thermionic and thermionic-field emission (TE–TFE) model for ideal Schottky reverse-bias leakage current

We present a unified thermionic emission (TE) and thermionic-field emission (TFE) model for the ideal reverse-bias leakage current in Schottky junctions. The unified TE–TFE analytical model advances upon previous analytical TFE models by Murphy–Good and Padovani–Stratton, which are the two most widely adopted models by the community, in two major aspects: (i) the applicability of the TFE expression therein is extended to near-zero surface electric fields by an error-function correction, allowing for the calculation of the total current by a nontrivial sum of TE (over-the-barrier current) and TFE (below-the-barrier current) contributions; therefore, an accurate description of the TE-to-TFE transition region is captured analytically for the first time; (ii) image-force lowering is considered with much-simpler correction terms. Comparisons with the reference numerical model show that the unified TE–TFE model has excellent accuracy, as well as a 10 000× reduction in computation time. The unified model is further tested against experimental data from Schottky barrier diodes based on Si, 4H-SiC, GaN, and β-Ga 2 O 3 , revealing accurate extractions of barrier heights and correct descriptions of the ideal reverse leakage characteristics. With the extended applicable range, improved accuracy, and computational efficiency, the unified TE–TFE model is highly valuable for the design and analysis of devices based on Schottky junctions, as well as for potential integration in technology computer-aided design (TCAD) tools.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Elimination of the bias-stress effect in ligand-free quantum dot field-effect transistors

Field-effect transistors (FETs) made from colloidal quantum dot (QD) solids commonly suffer from current–voltage hysteresis caused by the bias-stress effect (BSE), which complicates fundamental studies of charge transport in QD solids and the use of QD FETs in electronics. Here, we show that the BSE can be eliminated in n-channel PbSe QD FETs by first removing the QD ligands with a dose of H 2 S gas and then infilling the QD films with alumina by atomic layer deposition (ALD). The H 2 S-treated, alumina-infilled FETs have stable, hysteresis-free device characteristics (total short-term stability), indefinite air stability (total long-term stability), and a high electron mobility of up to 14 cm 2 V −1 s −1 , making them attractive for QD circuitry and optoelectronic devices. The BSE-free devices are utilized to conclusively establish the dependence of the electron mobility on temperature and QD diameter. We demonstrate that the BSE in these devices is caused by both electron trapping at the QD surface and proton drift within the film. The H 2 S/alumina chemistry produces ligand-free PbSe/PbS/Al 2 O 3 interfaces that lack the traps that cause the electronic part of the BSE, while full alumina infilling stops the proton motion responsible for the ionic part of the BSE. In conclusion, our matrix engineering approach should aid efforts to eliminate the BSE, boost carrier mobilities, and improve charge transport in other types of nanocrystal solids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Measurement bias in self-heating x-ray free electron laser experiments from diffraction studies of phase transformation in titanium

X-ray self-heating is a common by-product of X-ray Free Electron Laser (XFEL) techniques that can affect targets, optics, and other irradiated materials. Diagnosis of heating and induced changes in samples may be performed using the x-ray beam itself as a probe. However, the relationship between conditions created by and inferred from x-ray irradiation is unclear and may be highly dependent on the material system under consideration. Here, we report on a simple case study of a titanium foil irradiated, heated, and probed by a MHz XFEL pulse train at 18.1 keV delivered by the European XFEL using measured x-ray diffraction to determine temperature and finite element analysis to interpret the experimental data. We find a complex relationship between apparent temperatures and sample temperature distributions that must be accounted for to adequately interpret the data, including beam averaging effects, multivalued temperatures due to sample phase transitions, and jumps and gaps in the observable temperature near phase transformations. The results have implications for studies employing x-ray probing of systems with large temperature gradients, particularly where these gradients are produced by the beam itself. Finally, this study shows the potential complexity of studying nonlinear sample behavior, such as phase transformations, where biasing effects of temperature gradients can become paramount, precluding clear observation of true transformation conditions.

Crystallography↗
DOE OSTI2025

Experimental demonstration of transient CHI start-up using a floating biased electrode configuration

Transient coaxial helicity injection (CHI) current start-up in a spherical tokamak (ST) has been demonstrated for the first time using a reactor-relevant floating single biased (FSB) electrode configuration on QUEST. Unlike previous applications of CHI on HIT-II and on NSTX in which the entire ST vessel was split in two using two toroidal ceramic rings as vacuum breaks, in the FSB electrode configuration on QUEST, only the lower outer divertor plate is electrically insulated from the rest of the vessel. This is the CHI injector region. A CHI discharge is generated by driving current, using an external power supply, along magnetic field lines that connect the inner and outer divertor plates in the CHI injector region. The CHI plasma evolution and closed flux formation on QUEST are very similar to those on NSTX and have generated toroidal currents of 150 kA with 100 kA of current flowing on closed flux surfaces. An alternate, force-free model approach has been used to derive the CHI scaling relations. The resulting CHI scaling relations from the model are consistent with the conventional CHI scaling relations, which state that the CHI generated toroidal current is proportional to the CHI injector flux and the CHI injector current is inversely proportional to the toroidal field. These results from QUEST bode well for the application of CHI in a new generation of compact high field STs and low aspect ratio tokamaks in which the space for the central solenoid is very restricted.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗