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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Kinetic Inductance Phonon-Mediated Detectors for Dark Matter: R&D at NEXUS

Superconducting thin films have long been used as phonon sensors, particularly in the field of dark matter (DM) direct detection, due to the meV-scale Cooper-pair binding energy. A novel class of these detectors based on microwave kinetic inductance detectors, dubbed Kinetic Inductance Phonon-Mediated Detectors (KIPMDs), offers an attractive architecture for microcalorimeters to probe DM down to the fermionic thermal relic mass limit of a few keV. Such a device featuring an aluminum resonator patterned onto a silicon substrate was operated at the NEXUS low-background facility at Fermilab for characterization and evaluation of its efficacy for a dark matter search. With this device we have demonstrated a resolution on the energy absorbed by the superconductor of 2.5 eV, a factor of two better than current state-of-the-art. In this talk, I will present our measurement of the energy resolution and phonon collection efficiency performed by exposing the bare substrate to a pulsed source of 470 nm photons. I will also discuss the path forward to obtaining in these devices the sub-eV resolution required to test the “Freeze-in” class of DM models. Finally, I will review other complementary efforts in our group to develop a superconducting qubit-based low-threshold detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

KIPM Detector Characterization in QUIET

Kinetic Inductance Phonon‑Mediated (KIPM) detectors are superconducting microwave resonators that sense energy depositions in the substrate through a transient shift in their resonant frequency. In this work, I installed new devices in the QUIET cryogenic facility and used a network analyzer to drive them across a range of power levels. At each setting, I measured the transmitted signal and fit it to a simple notch‑filter model, allowing us to extract key performance metrics. Despite the increased noise at low power, the model consistently captured the resonance behavior. I first measured the resonance parameters as a function of RF drive power, then repeated the measurement across a range of temperatures to test whether the device behaved like an MKID. While the notch-filter fits captured the resonance reliably, the observed temperature dependence did not match the expected MKID signature — indicating that these first in-house fabricated chips are not yet functioning as true MKIDs. Overall, this reframes our work as a study of resonance parameter extraction and identification, pointing towards future iterations of device design and fabrication to get the true MKID response.

Savitala, Akash [U. Washington, Seattle (main); Fe↗
DOE OSTI2022

High-temperature phonon-mediated superconductivity in monolayer Mg 2 B 4 C 2

A two-dimensional material – Mg 2 B 4 C 2 , belonging to the family of the conventional superconductor MgB 2 , is theoretically predicted to exhibit superconductivity with critical temperature T c estimated in the 47–48 K range (predicted using the McMillian-Allen-Dynes formula) without any tuning of external parameters such as doping, strain, or substrate-induced effects. The origin of such a high intrinsic T c is ascribed to the presence of strong electron-phonon coupling and large density of states at the Fermi level. This system is obtained after replacing the chemically active boron-boron surface layers in a MgB 2 slab by chemically inactive boron-carbon layers. Hence, the surfaces of this material are inert. Our calculations confirm the stability of 2D Mg 2 B 4 C 2 . We also find that the key features of this material remain essentially unchanged when its thickness is increased by modestly increasing the number of inner MgB 2 layers.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Measuring quasiparticle dynamics for particle impact reconstruction in a superconducting qubit chip

Quasiparticle poisoning following particle impacts poses a significant challenge to the development of fault-tolerant superconducting quantum computers, as a sudden excess of quasiparticles can simultaneously degrade the coherence of multiple qubits across large device arrays. In this work, we present a statistical analysis that models the time evolution of radiation-induced qubit energy relaxation through quasiparticle density dynamics. This study provides insight into quasiparticle loss processes by distinguishing between recombination and trapping decay channels and assessing their respective impact on qubit performance. We precisely measure quasiparticle recombination in multiple transmon qubits and uncover an unexpected dependence of qubit relaxation dynamics on deposited energy. By linking correlated relaxation events across qubits to ballistic phonon propagation, we introduce a statistical localization approach to extract the energy deposited in the substrate, which is in good agreement with Monte Carlo simulation. This work establishes the quantitative framework for using an arbitrary subset of superconducting transmon qubits in a QPU as energy-resolving witness particle detectors.

Celi, E. [Northwestern U.]↗
DOE OSTI2024

SnSe 2 thermal conductivity from optothermal Raman and Stokes/anti-Stokes thermometry

The optothermal Raman method is useful in determining the in-plane thermal conductivity of two-dimensional (2D) materials that are either suspended or supported on a substrate. We compare this method with the Stokes/anti-Stokes scattering thermometry method, which can play a role in both calibration of Raman peak positions as well as extraction of the local phonon temperature. This work demonstrates that the Stokes/anti-Stokes intensity ratio plays an important role in determining the in-plane thermal conductivity of 2D tin diselenide (SnSe 2 ) dry-transferred onto a polished copper (Cu) substrate. The statistically-averaged thermal conductivity of the 108 ± 24 nm-thick SnSe 2 yielded 5.4 ± 3.5 Wm −1 K −1 for the optothermal Raman method, and 2.40 ± 0.81 Wm −1 K −1 for the Stokes/anti-Stokes thermometry method, indicating that the Stokes/anti-Stokes thermometry method to calculate the thermal conductivity of a material can simultaneously increase both precision and accuracy. The uncertainty value was also lowered by a factor of 1.9 from the traditional optothermal Raman method to the Stokes/anti-Stokes thermometry method. The low in-plane thermal conductivity of 2D SnSe 2 , 1.3–2.9 times lower than bulk, is useful for applications in thermal and electrical energy conversion and thermoelectric devices.

2D materials↗
DOE OSTI2021

Nanoscale lattice dynamics in hexagonal boron nitride moiré superlattices

Twisted two-dimensional van der Waals (vdW) heterostructures have unlocked a new means for manipulating the properties of quantum materials. The resulting mesoscopic moiré superlattices are accessible to a wide variety of scanning probes. To date, spatially-resolved techniques have prioritized electronic structure visualization, with lattice response experiments only in their infancy. Here, we therefore investigate lattice dynamics in twisted layers of hexagonal boron nitride (hBN), formed by a minute twist angle between two hBN monolayers assembled on a graphite substrate. Nano-infrared (nano-IR) spectroscopy reveals systematic variations of the in-plane optical phonon frequencies amongst the triangular domains and domain walls in the hBN moiré superlattices. Our first-principles calculations unveil a local and stacking-dependent interaction with the underlying graphite, prompting symmetry-breaking between the otherwise identical neighboring moiré domains of twisted hBN.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Correlated charge noise and relaxation errors in superconducting qubits

In This report, the central challenge in building a quantum computer is error correction. Unlike classical bits, which are susceptible to only one type of error, quantum bits (“qubits”) are susceptible to two types of error, corresponding to flips of the qubit state about the X- and Z-directions. While the Heisenberg Uncertainty Principle precludes simultaneous monitoring of X- and Z-flips on a single qubit, it is possible to encode quantum information in large arrays of entangled qubits that enable accurate monitoring of all errors in the system, provided the error rate is low. Another crucial requirement is that errors cannot be correlated. Here, we characterize a superconducting multiqubit circuit and find that charge fluctuations are highly correlated on a length scale over 600 µm; moreover, discrete charge jumps are accompanied by a strong transient suppression of qubit energy relaxation time across the millimeter-scale chip. The resulting correlated errors are explained in terms of the charging event and phonon-mediated quasiparticle poisoning associated with absorption of gamma rays and cosmic-ray muons in the qubit substrate. Robust quantum error correction will require the development of mitigation strategies to protect multiqubit arrays from correlated errors due to particle impacts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

S-band acoustoelectric amplifier in an InGaAs-AlScN-SiC architecture

Here, we report on an acoustoelectric slab waveguide heterostructure for phonon amplification using a thin Al 0.58 Sc 0.42 N film grown directly on a 4H-SiC substrate with an ultra-thin In 0.53 Ga 0.47 As epitaxial film heterogeneously integrated onto the surface of the Al 0.58 Sc 0.42 N. The aluminum scandium nitride film grown directly on silicon carbide enables a thin (∼850 nm thick) piezoelectric film to be deposited on a thermally conductive bulk substrate (370 W/m K for 4H-SiC); the high thermal conductivity of the substrate, large mobility of the semiconductor (∼7000 cm 2 /V s), and low carrier concentration (∼5 × 10 15 cm −3 ) yield low self-heating. A Sezawa mode with optimal overlap between the peak of its evanescent electric field and the semiconductor charge carriers is supported. The high velocity of the heterostructure materials allows us to operate the Sezawa mode amplifier at 3.05 GHz, demonstrating a gain of 500 dB/cm (40 dB in 800 μm). Additionally, a terminal end-to-end radio frequency gain of 7.7 dB and a nonreciprocal transmission of 52.6 dB are achieved with a dissipated DC power of 2.3 mW. In conclusion, the power added efficiency and acoustic noise figure are also characterized.

Hackett, L.↗
DOE OSTI2022

Vibrational modes and crystallographic structure of Cd 3 As 2 and (Cd 1-x Zn x ) 3 As 2 epilayers

Low-temperature Raman scattering is used to study the crystal structure of molecular-beam epitaxially grown layers of the Dirac semimetal Cd 3 As 2 and its related alloy (Cd 1-x Zn x ) 3 As 2 . The combination of narrow-linewidth spectra, multiple growth directions and full polarization analysis allows improved accuracy in identifying the irreducible representation of over 57 Raman-active vibrations. Several disagreements with previous identifications are found. Structurally, the results agree with the centrosymmetric I41/acd space group of bulk-grown Cd 3 As 2 and are clearly distinct from the Raman spectra of nanoscale platelets and wires. Three-fold twinning is seen in (112) Cd 3 As 2 grown on (111) zincblende substrates corresponding to the three possible tetragonal orientations. In dilute (Cd 1-x Zn x ) 3 As 2 , phonons have a frequency and scattering amplitude dependence on Zn concentration that is continuous with Cd 3 As 2 but at least one frequency is absent at the alloy endpoint, preventing a simple one-mode description of the alloy phonon.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Substrate effects on spin relaxation in two-dimensional Dirac materials with strong spin-orbit coupling

Understanding substrate effects on spin dynamics and relaxation is of key importance for spin-based information technologies. However, the key factors that determine such effects, in particular for materials with strong spin-orbit coupling (SOC), have not been well understood. Here we performed first-principles real-time density-matrix dynamics simulations with SOC and the electron phonon and electron-impurity scattering for spin lifetimes (τ s ) of supported/free-standing germanene, a prototypical strong SOC 2D Dirac material. We show that the effects of different substrates on τ s can surprisingly differ by two orders of magnitude. We find that substrate effects on τ s are closely related to substrate-induced modifications of the SOC-field anisotropy, which changes the spin flip scattering matrix elements. We propose a new electronic quantity, named spin-flip angle θ ↑↓ , to characterize spin relaxation through intervalley spin-flip scattering. We find that $τ^{-1}_s$ is approximately proportional to the averaged value of sin 2 (θ ↑↓ /2), which serves as a guiding parameter of controlling spin relaxation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Engineering Interlayer Electron–Phonon Coupling in WS 2 /BN Heterostructures

In van der Waals (vdW) heterostructures, the interlayer electron–phonon coupling (EPC) provides one unique channel to nonlocally engineer these elementary particles. However, limited by the stringent occurrence conditions, the efficient engineering of interlayer EPC remains elusive. Here we report a multitier engineering of interlayer EPC in WS2/boron nitride (BN) heterostructures, including isotope enrichments of BN substrates, temperature, and high-pressure tuning. The hyperfine isotope dependence of Raman intensities was unambiguously revealed. In combination with theoretical calculations, we anticipate that WS2/BN supercells could induce Brillouin-zone-folded phonons that contribute to the interlayer coupling, leading to a complex nature of broad Raman peaks. We further demonstrate the significance of a previously unexplored parameter, the interlayer spacing. By varying the temperature and high pressure, we effectively manipulated the strengths of EPC with on/off capabilities, indicating critical thresholds of the layer–layer spacing for activating and strengthening interlayer EPC. Our findings provide new opportunities to engineer vdW heterostructures with controlled interlayer coupling.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

An Investigation of Thermal Properties of 2D Materials [Dissertation]

Studying the thermal conductivity of 2D materials is important due to the applications of 2D materials in fields such as thermal management, thermoelectricity, renewable energy, and sensors. As such, measurements of the thermal conductivity of these 2D materials become important to measure. Thermal conductivity is often difficult to measure for 2D materials due to their atomically thin nature and many experimental methods for doing so requiring contact with the sample, which can alter the thermal properties. A non-contact method for calculating the thermal conductivity of 2D materials supported on substrates in order to model the thermal conductivity of 2D materials for devices, is proposed and experimentally performed in this dissertation. The optothermal Raman technique is a useful non-contact diagnostic technique useful in determining the thermal conductivity of 2D materials. The optothermal Raman typically does not account for heat losses due to convection or radiation or substrate resistance, which are shown to be important factors to consider when developing an optothermal Raman model. Additionally, the calculation of the interfacial thermal conductance between the bottom surface of the sample and the top surface of the substrate, plays an important role in determining the final value of the thermal conductivity of a supported sample, and will yield differing results based on whether or not the conductance is calculated using an approach such as the Diffuse Mismatch Model (DMM) or calculated directly by varying the laser heating profile (usually done by changing the laser objective). This is shown to be the case for both graphene on Ni, graphene on Cu, and SnSe 2 on Cu. In addition to experimentally calculating the thermal conductivity of a 2D material with the optothermal Raman technique, the thermal conductivity of 2D materials can also be calculated using computational methods. The three-phonon method is a method which can be used to simulate phonon scattering processes and determine the thermal conductivity of semiconductors, wherein phonon scattering is the dominant mechanism which determines the thermal conductivity. The three-phonon method uses relaxation times for phonon scattering with other phonons, electrons, and other material system elements, such as isotopes or material defects, in order to create a single-mode relaxation time approximation (SMRTA), which is used to calculate the final value of the thermal conductivity. An important consideration when determining the thermal conductivity of a 2D material using this method is the device geometry, which is reflected in this work as the phonon-boundary scattering relaxation time. This inclusion is important along with the inclusion of phonon-electron scattering in accurately determining the thermal conductivity of a 2D material. In both the optothermal Raman experiments and the three-phonon method computations, strain is shown to have a demonstrable effect on the thermal conductivity of 2D materials. When a 1.1% strain was applied to the mechanical properties of SnSe, the three-phonon processes yielded a lower thermal conductivity than the no-strain case. For the optothermal Raman experiments, the strain induced in the Cu substrate and transferred to a single-layer graphene (SLG) sample yields a trend where the thermal conductivity of the SLG decreases with respect to strain applied. In the case where the interfacial thermal conductance was calculated directly, the conductance increased with respect to strain applied. This presents strain as a reliable and viable method for tuning the thermal properties of 2D materials for device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Non-reciprocal acoustoelectric microwave amplifiers with net gain and low noise in continuous operation

Abstract Piezoelectric acoustic devices that are integrated with semiconductors can leverage the acoustoelectric effect, allowing functionalities such as gain and isolation to be achieved in the acoustic domain. This could lead to performance improvements and miniaturization of radio-frequency electronic systems. However, acoustoelectric amplifiers that offer a large acoustic gain with low power consumption and noise figure at microwave frequencies in continuous operation have not yet been developed. Here we report non-reciprocal acoustoelectric amplifiers that are based on a three-layer heterostructure consisting of an indium gallium arsenide (In 0.53 Ga 0.47 As) semiconducting film, a lithium niobate (LiNbO 3 ) piezoelectric film, and a silicon substrate. The heterostructure can continuously generate 28.0 dB of acoustic gain (4.0 dB net radio-frequency gain) for 1 GHz phonons with an acoustic noise figure of 2.8 dB, while dissipating 40.5 mW of d.c. power. We also create a device with an acoustic gain of 37.0 dB (11.3 dB net gain) at 1 GHz with 19.6 mW of d.c. power dissipation and a non-reciprocal transmission of over 55 dB.

42 ENGINEERING↗
DOE OSTI2020

Picoscale structural insight into superconductivity of monolayer FeSe/SrTiO 3

Remarkable enhancement of the superconducting transition temperature ( c ) has been observed for monolayer (ML) FeSe films grown on SrTiO 3 substrates. The atomic-scale structure of the FeSe/SrTiO 3 interface is an important determinant of both the magnetic and interfacial electron-phonon interactions and is a key ingredient to understanding its high- T c superconductivity. We resolve the atomic-scale structure of the FeSe/SrTiO 3 interface through a complementary analysis of scanning transmission electron microscopy and in situ surface x-ray diffraction. We find that the interface is more strongly bonded for a particular registration, which leads to a coherently strained ML. We also determine structural parameters, such as the distance between ML FeSe and the oxide, Se-Fe-Se bond angles, layer-resolved distances between Fe-Se, and registry of the FeSe lattice relative to the oxide. This picoscale structure determination provides an explicit structural framework and constraint for theoretical approaches addressing the high- T c mechanism in FeSe/SrTiO 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Study of Elastic and Structural Properties of BaFe2As2 Ultrathin Film Using Picosecond Ultrasonics

We obtain the through-thickness elastic stiffness coefficient (C33) in nominal 9 nm and 60 nm BaFe2As2 (Ba-122) thin films by using picosecond ultrasonics. Particularly, we reveal the increase in elastic stiffness as film thickness decreases from bulk value down to 9 nm, which we attribute to the increase in intrinsic strain near the film-substrate interface. Our density functional theory (DFT) calculations reproduce the observed acoustic oscillation frequencies well. In addition, temperature dependence of longitudinal acoustic (LA) phonon mode frequency for 9 nm Ba-122 thin film is reported. The frequency change is attributed to the change in Ba-122 orthorhombicity (a−b)/(a+b). This conclusion can be corroborated by our previous ultrafast ellipticity measurements in 9 nm Ba-122 thin film, which exhibit strong temperature dependence and indicate the structural phase transition temperature Ts.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Thermal Conductivity of β-Phase Ga 2 O 3 and (Al x Ga 1– x ) 2 O 3 Heteroepitaxial Thin Films

Heteroepitaxy of β-phase gallium oxide (β-Ga 2 O 3 ) thin films on foreign substrates shows promise for the development of next-generation deep ultraviolet solar blind photodetectors and power electronic devices. In this work, the influences of the film thickness and crystallinity on the thermal conductivity of ($\bar{2}01$)-oriented β-Ga 2 O 3 heteroepitaxial thin films were investigated. Unintentionally doped β-Ga 2 O 3 thin films were grown on c-plane sapphire substrates with off-axis angles of 0° and 6° toward $\langle$$11\bar{2}0$$\rangle$ via metal–organic vapor phase epitaxy (MOVPE) and low-pressure chemical vapor deposition. The surface morphology and crystal quality of the β-Ga 2 O 3 thin films were characterized using scanning electron microscopy, X-ray diffraction, and Raman spectroscopy. The thermal conductivities of the β-Ga 2 O 3 films were measured via time-domain thermoreflectance. The interface quality was studied using scanning transmission electron microscopy. The measured thermal conductivities of the submicron-thick β-Ga 2 O 3 thin films were relatively low as compared to the intrinsic bulk value. The measured thin film thermal conductivities were compared with the Debye–Callaway model incorporating phononic parameters derived from first-principles calculations. The comparison suggests that the reduction in the thin film thermal conductivity can be partially attributed to the enhanced phonon-boundary scattering when the film thickness decreases. They were found to be a strong function of not only the layer thickness but also the film quality, resulting from growth on substrates with different offcut angles. Growth of β-Ga 2 O 3 films on 6° offcut sapphire substrates was found to result in higher crystallinity and thermal conductivity than films grown on on-axis c-plane sapphire. However, the β-Ga 2 O 3 films grown on 6° offcut sapphire exhibit a lower thermal boundary conductance at the β-Ga 2 O 3 /sapphire heterointerface. In addition, the thermal conductivity of MOVPE-grown ($\bar{2}01$)-oriented β-(Al x Ga 1–x ) 2 O 3 thin films with Al compositions ranging from 2% to 43% was characterized. Because of phonon-alloy disorder scattering, the β-(Al x Ga 1–x ) 2 O 3 films exhibit lower thermal conductivities (2.8–4.7 W/m∙K) than the β-Ga 2 O 3 thin films. The dominance of the alloy disorder scattering in β-(Al x Ga 1–x ) 2 O 3 is further evidenced by the weak temperature dependence of the thermal conductivity. This work provides fundamental insight into the physical interactions that govern phonon transport within heteroepitaxially grown β-phase Ga 2 O 3 and (Al x Ga 1–x ) 2 O 3 thin films and lays the groundwork for the thermal modeling and design of β-Ga 2 O 3 electronic and optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Experimental and theoretical study of hole scattering in RF sputtered p-type Cu 2 O thin films

One of the key materials of interest for p-type oxide semiconductor thin film electronics is cuprous oxide (Cu 2 O), due to its relatively high hole mobility. Here, in this work, we use experiments, analytical models, and density functional theory calculations to study the scattering mechanisms that determine Hall mobility in two Cu 2 O samples. First, we examine a polycrystalline Cu 2 O thin film deposited by RF magnetron sputtering, and second, a single-crystalline Cu2O bulk substrate. Temperature-dependent Hall measurements indicate that neutral impurity and grain boundary scattering are dominant for the polycrystalline Cu 2 O thin film, while phonon scattering is dominant for single-crystalline Cu 2 O. Our first-principles calculations show that the room-temperature intrinsic hole mobility of Cu 2 O is 106 cm 2 V –1 s –1 , indicating the great promise of the material for p-type electronic devices. This intrinsic mobility is limited by phonon scattering, with the most dominant scattering modes having phonon energies of 88.4 and 17.1 meV. These results indicate that the key pathways to increase the hole mobility in Cu 2 O thin films are by reducing the impurity concentration and by increasing grain size. Our work thus sets the stage for the future development of high performance Cu 2 O-based p-type thin film transistors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Modeling carrier mobility in graphene as a sensitive probe of molecular magnets

Carrier mobility in graphene on a GaAs substrate and its change due to the adsorption of molecular magnets, Mn 12 and [Mn 3 ] 2 , on the surface of graphene, is calculated from first principles. Phonon limited mobility is also calculated for comparison. For Mn 12 adsorption on graphene, the mobility is compared for different organic ligands of Mn 12 (-H, -CH 3 , and - CHCl 2 ), while for [Mn 3 ] 2 dimers, the mobility is calculated for different linkers that yield the ferromagnetic and anti-ferromagnetic configurations of [Mn 3 ] 2 , as well as for different orientations of the molecule. Significant changes in carrier mobility due to the adsorption of the molecules and due to differences in linkers suggest mobility measurement as a possible sensitive probe of magnetic molecules.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗