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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Exploring the $A$-V-Sb landscape beyond $A$$\mathrm{V_3}$ $\mathrm{Sb_5}$: A case study on the $\mathrm{KV_6}$ $\mathrm{Sb_6}$ Kagome compound

Kagome compounds have garnered attention in the past few years for their intriguing magnetic properties arising from spin frustration dictated by the geometry of the Kagome sublattice. In this paper, we highlight the success of the unconventional hydride route for the fast and easy synthesis of the Kagome compound $\mathrm{KV_6}$ $\mathrm{Sb_6}$. Here, high-temperature in situ powder x-ray diffraction (PXRD) studies proved to be useful in hinting at the existence of $\mathrm{KV_6}$ $\mathrm{Sb_6}$, identifying its synthesis conditions, and understanding the reaction mechanism. The crystal structure for $\mathrm{KV_6}$ $\mathrm{Sb_6}$ was determined from high-resolution PXRD data. The compound has a layered structure [$R\overline{3}m, a = 5.5318$ (9) Å, $c = 34.23$ (3)Å 3 $Z = 3$] at room temperature] and features a Kagome bilayer of V atoms. $\mathrm{KV_6}$ $\mathrm{Sb_6}$ is isostructural to the previously reported $\mathrm{RbV_6}$ $\mathrm{Sb_6}$ and $\mathrm{CsV_6}$ $\mathrm{Sb_6}$ compounds. $\mathrm{KV_6}$ $\mathrm{Sb_6}$ is thermally stable in vacuum up to 1173 K, as evident from the high-temperature in situ PXRD and differential scanning calorimetric analysis. Investigation of magnetic properties for $\mathrm{KV_6}$ $\mathrm{Sb_6}$ between 2 and 300 K reveals temperature-independent paramagnetism and an absence of superconductivity, like the Rb and Cs analogs. Furthermore, we compare the magnetic properties of K V 3 Sb 5 , another ternary Kagome compound, synthesized via two different methods: the hydride route and the traditional route from elements. Low-temperature transport property measurements of $\mathrm{KV_6}$ $\mathrm{Sb_6}$ indicate metallic behavior and an intrinsically low thermal conductivity of $\mathrm{1.0 W K^-1}$ $\mathrm{m^-1}$ at 300 K. The layered structure of $\mathrm{KV_6}$ $\mathrm{Sb_6}$ makes it an attractive candidate for deintercalation and doping studies to tune both magnetic and transport properties, laying a foundation for further studies.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Combined Analysis of NASA's High Efficiency Megawatt Motor and Its Converter

NASA’s High Efficiency Megawatt Motor (HEMM) is being developed to achieve the performance needed by single aisle class electrified aircraft. It is a 1.4 MW electric machine designed as a generator for NASA’s STARC-ABL concept vehicle. It has performance objectives of greater than 16 kW/kg electromagnetic specific power and efficiency of greater than 98%. The key enabling technology for HEMM’s high performance metrics is a superconducting rotor cooled by an integrated cryocooler. HEMM’s integrated cryocooler is being designed to only lift 50 W of heat at its target 50 K cold tip operating temperature. HEMM’s superconducting rotor therefore needs to have essentially zero electromagnetic losses in order to stay below the 50 W heat rejection limit of the cryocooler. This paper presents the combined analysis of HEMM and a preliminarily designed HEMM converter to analyze the rotor loss impact of several potential converter filter topologies. The analysis results point to interleaving and series inductance filters not being sufficient to suppress switching harmonic caused rotor loss. Paths forward to develop a converter to eliminate rotor loss are discussed.

Matthew Granger↗

NASA NTRSDate not supplied

Combined Analysis of NASA's High Efficiency Megawatt Motor and Its Converter

Matthew Granger↗

DOE OSTI2022

Pressure dependence of the magnetic ground state in CePtSi 2

CePtSi 2 was reported to exhibit an antiferromagnetic order below T*=1.8 K at ambient pressure, a valence state change at ~1.2 GPa, and superconductivity in the range between 1.4 and 2.1 GPa with a maximum transition temperature of 0.14 K [T. Nakano et al., Phys. Rev. B 79, 172507 (2009)]. We have performed polycrystalline and single-crystal neutron diffraction experiments to determine the magnetic structure under ambient and high pressures. We found incommensurate magnetic peaks with a magnetic propagation vector of (0.32,0,0.11) at ambient pressure below T SDW ~ 1.25 K. Those magnetic peaks originate from a spin-density-wave order with the easy axis along the c axis and an averaged ordered moment of 0.45(5) μB , suggesting that there may be an intermediate phase between T* and T SDW . Applying pressures, the magnetic propagation vector shows no change and the magnetic order disappears around 1.0 GPa, which is much lower than the critical pressure for the superconducting phase. The results suggest that other than magnetic fluctuations may play a primary role in the superconducting pairing mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Quantifying the quantum heat contribution from a driven superconducting circuit

Heat flow management at the nanoscale is of great importance for emergent quantum technologies. For instance, a thermal sink that can be activated on-demand is a highly desirable tool that may accommodate the need to evacuate excess heat at chosen times, e.g., to maintain cryogenic temperatures or reset a quantum system to ground, and the possibility of controlled unitary evolution otherwise. Here we propose a design of such heat switch based on a single coherently driven qubit. We show that the heat flow provided by a hot source to the qubit can be switched on and off by varying external parameters, the frequency and the intensity of the driving. The complete suppression of the heat flow is a quantum effect occurring for specific driving parameters that we express and we analyze the role of the coherences in the free-qubit energy eigenbasis. We finally study the feasibility of this quantum heat switch in a circuit QED setup involving a charge qubit coupled to thermal resistances. In this work, we demonstrate robustness to experimental imperfections such as additional decoherence, paving the road towards experimental verification of this effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Enhancing superconductivity of Y 5 Rh 6 Sn 18 by atomic disorder

Here, we investigate the effect of enhancement of superconducting transition temperature $T_c$ by nonmagnetic atom disorder in the filled skutterudite-related tetragonal Y 5 Rh 6 Sn 18 compound doped with Ca. We documented experimentally that Y 5 Rh 6 Sn 18 and its Ca-doped alloys are electronically inhomogeneous at the nanoscale, when Ca content is smaller than ~1.5 in the Y 5– x Ca x Rh 6 Sn 18 system, while for $\textit{x}$ ≥ 1.5 much stronger chemical phase inhomogeneity is observed with an about 20% volume fraction of the second 3:4:13 cubic phase, which we interpret as a fluctuation of stoichiometry within the bulk sample. Then the enhancement of $T_c$ vs $\textit{x}$ could be modeled by a mechanism proposed in recent theoretical reports for increasing the mean-field transition temperature $T_c$ in the presence of nonmagnetic disorder. The increase in disorder with doping increases the sample inhomogeneity and causes a systematic increase in $T_c$, while for two-phase $\textit{x}$ ≥ 1.5 samples the critical temperature $T^{\star}_c ≈ 2 × T_c$ rapidly increases. Based on band structure calculations performed under pressure, we demonstrate how the change in density of states would affect $T_c$ of Y 5 Rh 6 Sn 18 . We obtained the Grüneisen parameter $γ_G$ larger for the inhomogeneous phase with respect to $γ_G$ of the bulk $T_c$ phase and attribute the enhancement of $T_c$ to larger stiffening of the high-temperature $T^{\star}_c$ phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Ab initio structural dynamics of pure and nitrogen-containing amorphous carbon

Abstract Amorphous carbon (a-C) has attracted considerable interest due to its desirable properties, which are strongly dependent on its structure, density and impurities. Using ab initio molecular dynamics simulations we show that the sp 2 /sp 3 content and underlying structural order of a-C produced via liquid quenching evolve at high temperatures and pressures on sub-nanosecond timescales. Graphite-like densities ( $$\lesssim$$ ≲ 2.7 g/cc) favor the formation of layered arrangements characterized by sp 2 disordered bonding resembling recently synthesized monolayer amorphous carbon (MAC), while at diamond-like densities ( $$\gtrsim$$ ≳ 3.3 g/cc) the resulting structures are dominated by disordered tetrahedral sp 3 hybridization typical of diamond-like amorphous carbon (DLC). At intermediate densities the system is a highly compressible mixture of coexisting sp 2 and sp 3 regions that continue to segregate over 10’s of picoseconds. The addition of nitrogen (20.3%) (a-CN) generates major system features similar with those of a-C, but has the unexpected effect of reinforcing the thermodynamically disfavored carbon structural motifs at low and high densities, while inhibiting phase separation in the intermediate region. At the same time, no nitrogen elimination from the carbon framework is observed above $$\simeq$$ ≃ 2.8 g/cc, suggesting that nitrogen impurities are likely to remain embedded in the carbon structures during fast temperature quenches at high pressures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Temperature-dependent angle-resolved photoemission spectroscopy study of the Ce 4f states in a possible topological Kondo insulator CeRhAs

The electronic structure of a possible topological Kondo insulator of CeRhAs has been investigated by employing temperature (T)-dependent angle-resolved photoemission spectroscopy (ARPES). Fermi surfaces (FSs) and band structures are successfully measured for three orthogonal crystallographic planes. The measured Fermi-edge states are found to have a three-dimensional (3D) character, contradictory to the proposed topological surface states of the 2 D character. The measured FSs due to the Ce 4f electrons agree well with those from the density functional theory band structures unfolded into the reduced Ce-only unit cell. The theoretically predicted hourglass-type bulk bands along $\bar{X}\bar{S}\bar{X}$ are not clearly resolved, in spite of the evident existence of those band features. Finally, T -dependent ARPES measurements reveal that the coherent Ce 4f states, having two pseudogap structures of Δ 1 ~ 80 meV and Δ 2 ~ 30 meV, persist to remain above 200 K, in agreement with the high Kondo temperature of CeRhAs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Experimental thermal equation of state of B 2–KCl

The alkali halides are often used as optically-transparent pressure-transmitting media and thermal insulators in laser-heated diamond anvil cell experiments. High P-T equations of state for these materials would allow them to be used simultaneously as sensitive in situ pressure markers, making sample preparation and data analysis simpler. KCl is especially useful for this application because its high melting point, crystallographic simplicity, and low electron density are ideal for use in high-temperature X-ray diffraction experiments. However, the high-temperature static equation of state data for this material is limited in pressure to 8 GPa. As experiments routinely exceed 100 GPa in pressure and thousands of Kelvin, it is necessary for the equation of state of KCl to be determined experimentally at these conditions if it is to be used as an equation of state calibrant in the future. This work combines new high-pressure, high-temperature data of the B2 phase of KCl (up to 167 GPa and 2400 K) with the previously published room-temperature data of Dewaele et al. (2012) to produce a Mie-Gruneisen-Debye thermal equation of state for this material. The room temperature equation of state parameters are similar to those reported previously: V 0 = 32.0(3) cm 3 /mole, K 0 = 24(1) GPa and $K$$^{'}_{0}$ = 4.56(5). The thermal parameters, 0 and q, are 2.9(4) and 1.0(1), respectively. While a q of 1 is expected, the 0 is higher than expected from previous calculations, lower pressure experimental data, and the available shockwave data. Here, previously-reported equations of state underestimate the pressure of KCl at high temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

High-temperature fractional quantum Hall state in the Floquet kagome flat band

A fractional quantum Hall effect (FQHE) has been predicted in a topological flat band (FB) by a single-particle band structure combined with phenomenological theory or solution of a many-body lattice Hamiltonian with fuzzy parameters. A long-standing roadblock toward the realization of a FB-FQHE is lacking the many-body solution of specific materials under realistic conditions. Here, we demonstrate a combined study of single-particle Floquet band theory with exact diagonalization (ED) of a many-body Hamiltonian. We show that a time-periodic circularly polarized laser inverts the sign of second-nearest-neighbor hopping in a kagome lattice and enhances spin-orbit coupling in one spin channel to produce a Floquet FB with a high flatness ratio of bandwidth over band gap, as exemplified in monolayer Pt 3 C 36 S 12 H 12 . The ED of the resultant Floquet-kagome lattice Hamiltonian gives a one-third-filling ground state with a laser-dependent excitation gap of a FQH state, up to an estimated temperature above 70 K. Our findings pave the way for exploring the alluding high-temperature FB-FQHE.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Nb 3 Sn Superconducting Cavities by Bronze Routes for Accelerator Stewardship

This project explored the challenges of making Nb 3 Sn superconducting radio-frequency (SRF) cavities by bronze routes. The SRF research community has prioritized Nb 3 Sn for many reasons, including the possibility to operate linacs for stewardship applications in continuous-wave mode with compact cryogenic systems. Existing Nb 3 Sn approaches use a cavity body made of niobium and apply tin to the polished cavity interior, a starting point that contains the main costs of present niobium cavity technology. Further complexity is then added because a high vacuum and temperature >1100 °C must be used to prevent formation of undesirable Nb-Sn phases, de-gas interstitial contaminants, and maintain the high purity of the Nb body. The project sought a more cost-effective solution for the same performance opportunities by exploiting the Cu-Sn-Nb diffusion reactions used to make Nb 3 Sn superconducting wires for magnets, which can be carried out at ~700 °C and are compatible with much cheaper copper cavity bodies. The project also sought understanding of the materials science and factors that affect superconducting properties. The project has impacted SRF cavity technology by demonstrating feasibility of alternative routes that enable compact, high-power electron accelerators for energy, security, environment, medical, and commercial applications.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Universal temperature dependence of the London penetration depth in κ - ( ET ) 2 X superconductors

High-precision radio-frequency magnetic susceptibility measurements were performed on single crystals of fully deuterated $κ-(ET)_2Cu[N(CN)_2]\,Br$, hereafter designated as $κ-(ET)_2Cu[N(CN)_2]\,Br$. This material phase separates into superconducting and antiferromagnetic regions, the degree of which depends strongly upon the cooling rate. Here, we show that the screening fraction $η_{sc}$ varies logarithmically with the cooling rate over nearly five decades. The average size of superconducting regions is estimated to vary from 5 to $40μm$, depending upon cooling rate, consistent with previous infrared microscopy measurements. In the region $T≲T_c/3$, the effective magnetic penetration depth exhibits power-law behavior $λ(T)-λ(0)~T^n$ with $n=1.6$, independent of the cooling rate. Changes in cooling rate and the consequent phase separation evidently do not introduce the kind of disorder that would alter the exponent $n$ in a $d$-wave superconductor. The exponent remains close to $n=$ 1.5, reported in single crystals of $κ-(ET)_2Cu[N(CN)_2]\,Br$ and $κ-(ET)_2Cu(NCS)_2$ [A. Carrington et al., Phys. Rev. Lett 83, 4172 (1999)]. The transition temperature fell linearly with $1-η_{sc}$. Measurements were also made on $κ-(ET)_2Cu[N(CN)_2]\,Cl$ of normal isotopic abundance in which a very small amount of superconducting phase $η_{sc}≈10^{-4}$ developed, presumably through the strain-induced sample mounting. This material showed a power-law exponent of $n=1.64$, independent of the cooling rate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1990

Femtosecond optical absorption studies of nonequilibrium electronic processes in high T(c) superconductors

The results are reported of femtosecond optical transient absorption experiments performed on the superconducting compounds YBa2Cu3O(7-x) (x about 0) and Bi2Sr2Ca2Cu3O(10+delta) (delta about 0) and nonsuperconducting YBa2Cu3O(6+y) (y less than 0.4) for sample temperatures ranging from about 7 K to room temperature. Nonequilibrium heating was found to occur on a subpicosecond time scale. A distinct, dramatic increase in the relaxation time was observed for the superconducting samples as the sample temperature was lowered below the critical temperatures of the respective films. Accompanying the increase in relaxation time was an increase in the peak fractional transmissivity change. No such changes were observed for the nonsuperconducting YBCO sample.

Chwalek, J. M.↗

DOE OSTI2025

The Frequency Shift and $Q$ of Disordered Superconducting RF Cavities

Niobium superconducting radio-frequency (SRF) cavities for high-energy accelerator applications have been greatly improved in terms of the quality factor $Q$ by techniques such as Nitrogen doping. However, the mechanisms leading to improvement in $Q$ are still not fully understood. Quite recently the SRF group at Fermilab measured anomalies in the frequency shift of N-doped SRF Niobium cavities near the transition temperature. Here we report our theoretical analysis of these results based on the microscopic theory of superconductivity that incorporates anisotropy of the superconducting gap and inhomogeneous disorder in the screening region of the SRF cavities. We are able to account for frequency shift anomalies very close to $T_c$ on the order of fractions of 1 kHz. Our results for the frequency shift and Q are in good agreement with the experimental data reported for all four N-doped Nb SRF cavities by Bafia et al. We also compare our theory with an earlier report on a Nb sample measured at 60 GHz. In addition, we show that the quality factor calculated theoretically has a peak of upper convexity with the largest $Q$ at intermediate levels of disorder. For strong disorder, i.e. the dirty limit, pair breaking in the presence of disorder and screening currents limits the $Q$.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

SLAC microresonator RF(SMuRF) electronics: A tone-tracking readout system for superconducting microwave resonator arrays

Here, we describe the newest generation of the SLAC Microresonator RF (SMuRF) electronics, a warm digital control and readout system for microwave-frequency resonator-based cryogenic detector and multiplexer systems, such as microwave superconducting quantum interference device multiplexers (μmux) or microwave kinetic inductance detectors. Ultra-sensitive measurements in particle physics and astronomy increasingly rely on large arrays of cryogenic sensors, which in turn necessitate highly multiplexed readout and accompanying room-temperature electronics. Microwave-frequency resonators are a popular tool for cryogenic multiplexing, with the potential to multiplex thousands of detector channels on one readout line. The SMuRF system provides the capability for reading out up to 3328 channels across a 4–8 GHz bandwidth. Notably, the SMuRF system is unique in its implementation of a closed-loop tone-tracking algorithm that minimizes RF power transmitted to the cold amplifier, substantially relaxing system linearity requirements and effective noise from intermodulation products. Here, we present a description of the hardware, firmware, and software systems of the SMuRF electronics, comparing achieved performance with science-driven design requirements. In particular, we focus on the case of large-channel-count, low-bandwidth applications, but the system has been easily reconfigured for high-bandwidth applications. The system described here has been successfully deployed in lab settings and field sites around the world and is baselined for use on upcoming large-scale observatories.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Intercalation-Induced Topotactic Phase Transformation of Tungsten Disulfide Crystals

Recent research has demonstrated the potential for topological superconductivity, anisotropic Majorana bound states, optical nonlinearity, and enhanced electrochemical activity for transition metal dichalcogenides (TMDs) with a 2M structure. These unique TMD compounds exhibit metastability and, upon heating, undergo a transition to the thermodynamically stable 2H phase. The 2M phase is commonly made at high temperatures using traditional solid-state methods, and this metastability further complicates the growth of large 2M WS 2 crystals. Herein, a novel synthetic method was developed, focusing on a molten salt reaction to synthesize large 2H crystals and then inducing transformation to the 2M phase through intercalation and thermal treatment. The 2H crystals were intercalated via a room-temperature sodium naphthalenide solution, producing a previously unreported Na-intercalated 2H WS 2 phase. Thermal heating was required to facilitate the phase transition to the intercalated 2M crystal structure. This phase transition was studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), electron dispersive X-ray spectroscopy (EDS), and Raman spectroscopy, which confirmed the synthesis of the intercalated 2M phase. Upon deintercalation, crystal and powder samples showed superconductivity with a T c of 8.6–8.7 K, similar to previously reported values. The generality of this process was further demonstrated using alkali metal triethyl borohydride to intercalate 2H WS 2 and produced the desired 2M phase. This novel synthetic method has broad implications for discovering metastable phases in other TMD families and layered materials. Furthermore, separation of the intercalation and phase transition also has the potential to allow for large-scale synthesis of this technologically important phase with greater control over each step of the reaction.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Model predictive control for robust quantum state preparation

A critical engineering challenge in quantum technology is the accurate control of quantum dynamics. Model-based methods for optimal control have been shown to be highly effective when theory and experiment closely match. Consequently, realizing high-fidelity quantum processes with model-based control requires careful device characterization. In quantum processors based on cold atoms, the Hamiltonian can be well-characterized. For superconducting qubits operating at milli-Kelvin temperatures, the Hamiltonian is not as well-characterized. Unaccounted for physics (i.e., mode discrepancy), coherent disturbances, and increased noise compromise traditional model-based control. This work introduces model predictive control (MPC) for quantum control applications. MPC is a closed-loop optimization framework that (i) inherits a natural degree of disturbance rejection by incorporating measurement feedback, (ii) utilizes finite-horizon model-based optimizations to control complex multi-input, multi-output dynamical systems under state and input constraints, and (iii) is flexible enough to develop synergistically alongside other modern control strategies. We show how MPC can be used to generate practical optimized control sequences in representative examples of quantum state preparation. Specifically, we demonstrate for a qubit, a weakly-anharmonic qubit, and a system undergoing crosstalk, that MPC can realize successful model-based control even when the model is inadequate. These examples showcase why MPC is an important addition to the quantum engineering control suite.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2012

Performance and Characterization of Magnetic Penetration Thermometer Devices for X-Ray Spectroscopy

We are developing magnetic penetration thermometers (MPTs) for applications in X-ray astronomy. These non-dissipative devices consist of an X-ray absorber in good thermal contact to a superconducting thin film with a transition temperature around T=100mK. A microfabricated superconducting planar inductor underneath is used to store a persistent current and couple the superconductor's diamagnetic response to a readout SQUID. The strong temperature dependence of the diamagnetic response make these devices suitable for highly sensitive macroscopic thermometers that are capable of achieving very high energy resolution. We present results achieved with MPTs consisting of MoAu bilayer sensors attached to overhanging square 250 micron by 250 micron gold absorbers that have demonstrated an energy resolution of delta E_FWHM=2.3eV at an X-ray energy of 5.9keV. A similar device has shown delta E_FWHM=2.0eV at 1.5 keV. Under certain conditions and for specific device geometries, the temperature responsivity of the MPTs can vary on long timescales degrading the spectral performance. We present the characterization of different inductor geometries to optimize the design for the highest possible temperature sensitivity and compare different device designs with respect to responsivity stability.

Porst, J. -P.↗