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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Cleaning graphene: A first quantum/classical molecular dynamics approach

Graphene outstanding properties created a huge interest in the condensed matter community and unprecedented fundings at the international scale in the hope of application developments. Recently, there have been several reports of incomplete removal of the polymer resists used to transfer as-grown graphene from one substrate to another, resulting in altered graphene transport properties. Finding a large-scale solution to clean graphene from adsorbed residues is highly desirable and one promising possibility would be to use hydrogen plasmas. In this spirit, we couple here quantum and classical molecular dynamics simulations to explore the kinetic energy ranges required by atomic hydrogen to selectively etch a simple residue—a CH{sub 3} group—without irreversibly damaging the graphene. For incident energies in the 2–15 eV range, the CH{sub 3} radical can be etched by forming a volatile CH{sub 4} compound which leaves the surface, either in the CH{sub 4} form or breaking into CH{sub 3} + H fragments, without further defect formation. At this energy, adsorption of H atoms on graphene is possible and further annealing will be required to recover pristine graphene.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Theoretical and experimental study of the dynamic response of absorber-based, micro-scale, oscillatory probes for contact sensing applications

This paper presents two models for predicting the frequency response of micro-scale oscillatory probes. These probes are manufactured by attaching a thin fiber to the free end of one tine of a quartz tuning fork oscillator. In these studies, the attached fibers were either 75 μm diameter tungsten or 7 μm diameter carbon with lengths ranging from around 1 to 15 mm. The oscillators used in these studies were commercial 32.7 kHz quartz tuning forks. The first theoretical model considers lateral vibration of two beams serially connected and provides a characteristic equation from which the roots (eigenvalues) are extracted to determine the natural frequencies of the probe. A second, lumped model approximation is used to derive an approximate frequency response function for prediction of tine displacements as a function of a modal force excitation corresponding to the first mode of the tine in the absence of a fiber. These models are used to evaluate the effect of changes in both length and diameter of the attached fibers. Theoretical values of the natural frequencies of different modes show an asymptotic relationship with the length and a linear relationship with the diameter of the attached fiber. Similar results are observed from experiment, one with a tungsten probe having an initial fiber length of 14.11 mm incrementally etched down to 0.83 mm, and another tungsten probe of length 8.16 mm incrementally etched in diameter, in both cases using chronocoulometry to determine incremental volumetric material removal. The lumped model is used to provide a frequency response again reveals poles and zeros that are consistent with experimental measurements. Finite element analysis shows mode shapes similar to experimental microscope observations of the resonating carbon probes. This model provides a means of interpreting measured responses in terms of the relative motion of the tine and attached fibers. Of particular relevance is that, when a “zero” is observed in the response of the tine, one mode of the fiber is matched to the tine frequency and is acting as an absorber. This represents an optimal condition for contact sensing and for transferring energy to the fiber for fluid mixing, touch sensing, and surface modification applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

An AlN/Al 0.85 Ga 0.15 N high electron mobility transistor

An AlN barrier high electron mobility transistor (HEMT) based on the AlN/Al 0.85 Ga 0.15 N heterostructure was grown, fabricated, and electrically characterized, thereby extending the range of Al composition and bandgap for AlGaN channel HEMTs. An etch and regrowth procedure was implemented for source and drain contact formation. A breakdown voltage of 810 V was achieved without a gate insulator or field plate. Excellent gate leakage characteristics enabled a high I on /I off current ratio greater than 10 7 and an excellent subthreshold slope of 75 mV/decade. A large Schottky barrier height of 1.74 eV contributed to these results. In conclusion, the room temperature voltage-dependent 3-terminal off-state drain current was adequately modeled with Frenkel-Poole emission.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Trench formation and corner rounding in vertical GaN power devices

Trench formation and corner rounding are the key processes to demonstrate high-voltage trench-based vertical GaN devices. In this work, we developed a damage-free corner rounding technology combining Tetramethylammonium hydroxide wet etching and piranha clean. By optimizing the inductively coupled plasma dry etching conditions and applying the rounding technology, two main trench shapes were demonstrated: flat-bottom rounded trench and tapered-bottom rounded trench. TCAD simulations were then performed to investigate the impact of trench shapes and round corners on device blocking capability. GaN trench metal-insulator-semiconductor barrier Schottky rectifiers with different trench shapes were fabricated and characterized. A breakdown voltage over 500 V was obtained in the device with flat-bottom rounded trenches, compared to 350 V in the device with tapered-bottom rounded trenches and 150 V in the device with non-rounded trenches. Both experimental and simulation results support the use of rounded flat-bottom trenches to fabricate high-voltage GaN trench-based power devices.

Zhang, Yuhao (ORCID:0000000228495653)↗
DOE OSTI2018

Increased interference fringe visibility from the post-fabrication heat treatment of a perfect crystal silicon neutron interferometer

We find that annealing a previously chemically etched interferometer at 800 °C dramatically increased the interference fringe visibility from 23% to 90%. The Bragg plane misalignments were also measured before and after annealing using neutron rocking curves, showing that Bragg plane alignment was improved across the interferometer after annealing. Furthermore, this suggests that current interferometers with low fringe visibility may be salvageable and that annealing may become an important step in the fabrication process of future neutron interferometers, leading to less need for chemical etching and larger more exotic neutron interferometers.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Effect of self-bias on cylindrical capacitive discharge for processing of inner walls of tubular structures—Case of SRF cavities

Cylindrical capacitive discharge is a convenient medium for generating reactive ions to process inner walls superconductive radio-frequency (SRF) cavities. These cavities, used in particle accelerators, present a three-dimensional structure made of bulk Niobium, with axial cylindrical symmetry. Manufactured cavity walls are covered with Niobium oxides and scattered particulates, which must be removed for desired SRF performance. Cylindrical capacitive discharge in a mixture of Ar and Cl 2 is a sole and natural non-wet acid choice to purify the inner surfaces of SRF cavities by reactive ion etching. Coaxial cylindrical discharge is generated between a powered inner electrode and the grounded outer electrode, which is the cavity wall to be etched. Plasma sheath voltages were tailored to process the outer wall by providing an additional dc current to the inner electrode with the help of an external compensating dc power supply and corrugated design of the inner electrode. The dc bias potential difference is established between two electrodes to make the set-up favorable for SRF wall processing. To establish guidelines for reversing the asymmetry and establishing the optimal sheath voltage at the cavity wall, the dc self-bias potential and dc current dependence on process parameters, such as gas pressure, rf power and chlorine content in the Ar/Cl 2 gas mixture was measured. In conclusion, the process is potentially applicable to all concave metallic surfaces.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Enhancement-mode Al 0.85 Ga 0.15 N/Al 0.7 Ga 0.3 N high electron mobility transistor with fluorine treatment

Enhancement-mode Al 0.7 Ga 0.3 N-channel high electron mobility transistors (HEMTs) were achieved here through a combination of recessed etching and fluorine ion deposition to shift the threshold voltage (V TH ) relative to depletion-mode devices by +5.6 V to V TH = +0.5 V. Accounting for the threshold voltage shift (ΔV TH ), current densities of approximately 30 to 35 mA/mm and transconductance values of 13 mS/mm were achieved for both the control and enhancement mode devices at gate biases of 1 V and 6.6 V, respectively. Little hysteresis was observed for all devices, with voltage offsets of 20 mV at drain currents of 1.0 × 10 -3 mA/mm. Enhancement-mode devices exhibited slightly higher turn-on voltages (+0.38 V) for forward bias gate currents. Piecewise evaluation of a threshold voltage model indicated a ΔV TH of +3.3 V due to a gate recess etching of 12 nm and an additional +2.3 V shift due to fluorine ions near the AlGaN surface.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Understanding the charge transport mechanisms through ultrathin SiO x layers in passivated contacts for high-efficiency silicon solar cells

We report on the microscopic structure of the SiO x layer and the transport mechanism in polycrystalline Si (poly-Si) passivated contacts, which enable high-efficiency crystalline Si (c-Si) solar cells. Using electron beam induced current (EBIC) measurements, we accurately map nanoscale conduction-enabling pinholes in 2.2 nm thick SiOx layers in a poly-Si/SiO x /c-Si stack. These conduction enabling pinholes appear as bright spots in EBIC maps due to carrier transport and collection limitations introduced by the insulating 2.2 nm SiO x layer. Performing high-resolution transmission electron microscopy at a bright spot identified with EBIC reveals that conduction pinholes in SiO x can be regions of thin tunneling SiO x rather than a geometric pinhole. Additionally, selectively etching the underlying poly-Si layer in contacts with 1.5 and 2.2 nm thick SiO x layers using tetramethylammonium hydroxide results in pinhole-like etch features in both contacts. However, EBIC measurements for a contact with a thinner, 1.5 nm SiO x layer do not reveal pinholes, which is consistent with uniform tunneling transport through the 1.5 nm SiO x layer. Finally, we theoretically show that reducing the metal to the c-Si contact size from microns, like in the p-type passivated emitter rear contact, to tens of nanometers, like in poly-Si contacts, allows lowering of the unpassivated contact area by several orders of magnitude, thus resulting in excellent passivation, as has been demonstrated for these contacts.

14 SOLAR ENERGY↗
DOE OSTI2019

Argon metastable and resonant level densities in Ar and Ar/Cl 2 discharges used for the processing of bulk niobium

In this work, a comparative analysis of two popular spectroscopy techniques is conducted in a coaxial cylindrical capacitively coupled discharge designed for the plasma processing of superconducting radio frequency (SRF) cavities. The density of the metastable and resonant levels in Ar is measured in both Ar and Ar/Cl 2 discharges to properly characterize the unique discharge system and aid in the development of a cavity etching routine. The first method, deemed the “branching fraction method,” utilizes the sensitivity of photon reabsorption of radiative decay to measure the lower state (metastable and resonant) densities by taking ratios of spectral lines with a common upper level. This method has been gaining popularity as it does not require any a priori knowledge about the electron energy distribution. The second method is a tunable diode laser absorption spectroscopy technique that measures the thermal Doppler broadening of spectral lines, from which the neutral gas temperature and lower state density of the transition can be evaluated. The two methods were conducted in tandem, while external parameters that were empirically determined to be important to the etching mechanism of SRF cavities are varied. Relationships between the excited state densities and the external parameters are presented for both spectroscopy methods and conclusions about the effects of these parameters on the discharge are stated when appropriate.

Plasma properties and parameters↗
DOE OSTI2022

Electronic structure of epitaxially grown and regrown GaN pn junctions characterized by scanning Kelvin probe and capacitance microscopy

Epitaxial regrowth of GaN pn junctions is a key technology for realization of a variety of high-performance GaN power electronic devices. However, the regrowth process can introduce impurities and defects that degrade a device’s performance. Here, we show that scanning Kelvin probe force microscopy and scanning capacitance microscopy can be used in a cross-sectional geometry to probe dopant distributions and an electronic structure in epitaxially grown GaN pn junctions. These measurements enable profiling of potential and dopant distributions across GaN pn junctions produced by uninterrupted epitaxial growth and by regrowth on an etched surface. Clear differences are observed in comparisons to the electronic structure of these two types of junctions that can be correlated with results of complementary characterization of dopant distributions reported for similarly grown structures. These measurements also suggest the presence of defects in etch-and-regrow pn junction structures that extend nearly 1 μm below the regrown interface.

Kim, Tae-Hyeon (ORCID:0000000341530617)↗
DOE OSTI2022

Realizing crack-free high-aluminum-mole-fraction AlGaN on patterned GaN beyond the critical layer thickness

Wide-bandgap III-nitride heterostructures are required for a variety of device applications. However, this alloy system has a large lattice constant and thermal expansion coefficient mismatch that limits the alloy composition and layer thickness for many heteroepitaxial device structures. Consequently, various methods have been devised to allow the heteroepitaxial growth of AlInGaN heterostructures to accommodate this inherent strain. In this work, we describe a non-planar-growth approach that enables the deposition of crack-free high-Al-mole-fraction Al x Ga 1-x N on patterned GaN/sapphire templates and bulk GaN substrates with large-area mesas. We have studied the effects of the patterned mesa width, the mesa etch depth, and the gap between the mesas on the heteroepitaxy of Al x Ga 1-x N superlattices with an average Al molar fraction 0.11 < x¯ < 0.21 and non-planar overgrowth growth thicknesses up to 3.5 μm. Similar to the planar growth approach, increasing the thickness and Al mole fraction of the Al x Ga 1-x N superlattices leads to surface cracking when exceeding the critical layer thickness. However, limiting the mesa dimension in one direction enables strain mitigation and drastically increases the critical layer thickness. Additionally, larger etch depths of the mesas increase the Al alloy composition and thickness for crack-free AlGaN heteroepitaxy whereas the gap in between the mesas seems to have no crucial influence. We demonstrate that the Al alloy composition and layer thicknesses of such heterostructures can be increased far beyond the critical layer thickness for planar growth and demonstrate the growth of a crack-free full AlxGa 1-x N/GaN quantum-well laser heterostructure designed for operation at ~370 nm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Optimisation of spontaneous four-wave mixing in a ring microcavity

A theory of spontaneous four-wave mixing in a ring microcavity is developed. The rate of emission of biphotons for pulsed and monochromatic pumping with allowance for the dispersion of group velocities is analytically calculated. In the first case, pulses in the form of an increasing exponential are considered, which are optimal for excitation of an individual resonator mode. The behaviour of the group velocity dispersion as a function of the width and height of the waveguide is studied for a specific case of a ring microcavity made of silicon nitride. The results of the numerical calculation are in good agreement with the experimental data. The ring microcavity is made of two types of waveguides: completely etched and half etched. It is found that the latter allow for better control over the parameters in the manufacturing process, making them more predictable. (nonlinear optical phenomena)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Low-threshold, single-transverse-mode, 940-nm vertical-cavity surface-emitting laser with a mode filter and half-wavelength cavity

We demonstrate a structure for a vertical-cavity surface-emitting laser (VCSEL) with a mode filter and half-wavelength (λ/2) cavity. The effects of λ/2- and λ-cavities on the threshold current are studied. The thickness and etched diameter of the mode filter are optimised to achieve single-transverse-mode output. The results show that when changing from λ-cavity to λ/2-cavity, the threshold current of the VCSEL decreases by 30.7% (from 0.85 mA to 0.65 mA). In addition, for the mode-filter thickness of 80 nm, and the etched diameter of 2.5 μm, the side mode suppression ratio reaches 90 dB, which meets the requirement of single-transverse-mode output. The VCSELs with the optimised design can overcome many difficulties and have great potential in 3D face recognition. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Investigation of structural and thermal properties of Nb 2 CT X MXenes at elevated temperature

Nb-based MXenes, particularly Nb 2 CT X is noted for its metallic characteristics, and nearly zero band gap because of it 2D structure. Different synthesis processes have been utilized such as HF etching, HCl/LiF and molten salt method to prepare delaminated Nb 2 CT X MXene sheets[1]. Moreover, various approaches have been tried for modifying MXenes properties including partial oxidation for application such as energy storage, gas sensing, photocatalyst etc. One step synthesis technique used for creating efficient hydrogen evolution photocatalyst comprised of Nb 2 O 5 /C/Nb 2 C composites. Furthermore, we have prepared Nb 2 CT X MXenes with a strong etching method and investigated its fundamental properties at elevated temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Niobium coaxial cavities with internal quality factors exceeding 1.4 × 10 9 for circuit quantum electrodynamics

Group-V materials such as niobium and tantalum have become popular choices for extending the performance of circuit quantum electrodynamics (cQED) platforms, allowing for quantum processors and memories with reduced error rates and more modes. The complex surface chemistry of niobium, however, makes identifying the main modes of decoherence difficult at millikelvin temperatures and single-photon powers. We use niobium coaxial quarter-wave cavities to study the impact of etch chemistry, prolonged atmospheric exposure, and the significance of cavity conditions prior to and during cooldown—in particular, niobium hydride evolution—on single-photon coherence. We demonstrate cavities with quality factors Q int ≳ 1.4 × 10 9 in the single-photon regime, a 15-fold improvement over aluminum cavities of the same geometry. We rigorously quantify the sensitivity of our fabrication process to various loss mechanisms and demonstrate a two- to fourfold reduction in the two-level system loss tangent and a three- to fivefold improvement in the residual resistance over traditional buffered chemical polishing etching techniques. Finally, we demonstrate transmon integration and coherent cavity control while maintaining a cavity coherence of 11.3 ms. The accessibility of our method, which can be easily replicated in academic laboratory settings, together with the demonstration of its performance, mark an advancement in three-dimensional cQED.

Oriani, Andrew E. [Chicago U., EFI; Chicago U.] (O↗
DOE OSTI2017

Formation of dysprosium carbide on the graphite (0001) surface

When using scanning tunneling microscopy, we characterize a surface carbide that forms such that Dy is deposited on the basal plane of graphite. In order to form carbide islands on terraces, Dy is first deposited at 650–800 K, which forms large metallic islands. Upon annealing at 1000 K, these clusters convert to carbide. Deposition directly at 1000 K is ineffective because nucleation on terraces is inhibited. Reaction is signaled by the fact that each carbide cluster is partially or totally surrounded by an etch pit. The etch pit is one carbon layer deep for most carbide clusters. Carbide clusters are also identifiable by striations on their surfaces. Based on mass balance, and assuming that only the surface layer of carbon is involved in the reaction, the carbide has stoichiometry D y 2 C . This is Dy-rich compared with the most common bulk carbide Dy C 2 , which may reflect limited surface carbon transport to the carbide.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials synthesis, neutron powder diffraction, and first-principles calculations of (Mo x Sc 1–x ) 2 AlC i–MAX phase used as parent material for MXene derivation

Research on low-dimensional materials has increased drastically in the last decade, with the discovery of two-dimensional transition metal carbides and nitrides (MXenes) produced by atom-selective chemical etching of laminated parent M n+1 AX n (MAX) phases. In this study, we apply density functional theory and subsequent materials synthesis and analysis to explore the phase stability and Mo/Sc intermixing on the M site in the chemically ordered quaternary i-MAX phase (Mo x Sc 1-x ) 2 AlC. Transmission electron microscopy confirms the theoretical predictions of preferential in-plane ordering of Mo and Sc, with the highest crystal quality obtained for the ideal Mo:Sc ratio of 2:1 (predicted as the most stable), as well as a retained i-MAX structure even for an increased relative Sc content, with Sc partially occupying Mo sites. The results are supported by refined neutron diffraction data, which show space group C2/c (no. 15), and a C occupancy of 1. Subsequent chemical etching produces MXene for x=0.66, while for x=0.33 and 0.5 no MXene is observed. These results demonstrate that a precise control of the i-MAX composition is crucial for derivation of MXene, with a MXene quality optimized for a Mo:Sc ratio of 2:1 with minimal intermixing between Mo and Sc.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Water dynamics in pristine and porous Ti 3 C 2 T x MXene as probed by quasielastic neutron scattering

MXenes are a novel class of two-dimensional (2D) materials whose applications in energy-storage systems have attracted substantial attention. Still, the rate performance of these materials is often diminished by sheet restacking, which is attenuated via controlled etching in H 2 SO 4 solution. With this process, micropores are formed in MXene sheets that allow transport across 2D layers. As a result, the intercalation and diffusivity of ions are facilitated resulting in improved capacitance retention at high charge-discharge rates. In the present work, we used quasielastic neutron scattering to evaluate the potential changes in water dynamics as a consequence of this mechanism by assessing the behavior of weakly and strongly confined water populations in pristine and porous MXenes. First, we have found that the porous sample accommodates a noticeably higher content of both water populations. Additionally, the fraction of mobile molecules is higher either under strong or weak confinement. Interestingly, regardless of the abundance of weakly confined water in the porous sample, no considerable changes in the dynamical behavior were detected in comparison with the dynamics measured in the pristine material. Finally, for the strongly confined populations of water, our results show that water is able to permeate the micropores introduced by etching and perform unlocalized motions.

36 MATERIALS SCIENCE↗