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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Designing Quantum Spin-Orbital Liquids in Artificial Mott Insulators

Quantum spin-orbital liquids are elusive strongly correlated states of matter that emerge from quantum frustration between spin and orbital degrees of freedom. A promising route towards the observation of those states is the creation of artificial Mott insulators where antiferromagnetic correlations between spins and orbitals can be designed. We show that Coulomb impurity lattices on the surface of gapped honeycomb substrates, such as graphene on SiC, can be used to simulate SU(4) symmetric spin-orbital lattice models. We exploit the property that massive Dirac fermions form mid-gap bound states with spin and valley degeneracies in the vicinity of a Coulomb impurity. Due to electronic repulsion, the antiferromagnetic correlations of the impurity lattice are driven by a super-exchange interaction with SU(4) symmetry, which emerges from the bound states degeneracy at quarter filling. We propose that quantum spin-orbital liquids can be engineered in artificially designed solid-state systems at vastly higher temperatures than achievable in optical lattices with cold atoms. Lastly, we discuss the experimental setup and possible scenarios for candidate quantum spin-liquids in Coulomb impurity lattices of various geometries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Genesis: A Compiler Framework for Hamiltonian Simulation on Hybrid CV-DV Quantum Computers

We introduce Genesis, the first compiler designed to support Hamiltonian Simulation on hybrid continuous-variable (CV) and discrete-variable (DV) quantum computing systems. Genesis is a two-level compilation system. At the first level, it decomposes an input Hamiltonian into basis gates using the native instruction set of the target hybrid CV-DV quantum computer. At the second level, it tackles the mapping and routing of qumodes/qubits to implement long-range interactions for the gates decomposed from the first level. Rather than a typical implementation that relies on SWAP primitives similar to qubit-based (or DV-only) systems, we propose an integrated design of connectivity-aware gate synthesis and beamsplitter SWAP insertion tailored for hybrid CV-DV systems. We also introduce an OpenQASM-like domain-specific language (DSL) named CVDV-QASM to represent Hamiltonian in terms of Pauli-exponentials and basic gate sequences from the hybrid CVDV gate set. Genesis has successfully compiled several important Hamiltonians, including the Bose-Hubbard model, Z2−Higgs model, Hubbard-Holstein model, Heisenberg model and Electron-vibration coupling Hamiltonians, which are critical in domains like quantum field theory, condensed matter physics, and quantum chemistry. Our implementation is available at Genesis-CVDV-Compiler https://github.com/ruadapt/Genesis-CVDV-Compiler

Chen, Henry↗
DOE OSTI2025

Ultralow-temperature cryogenic transmission electron microscopy using a new helium flow cryostat stage

Advances in cryogenic electron microscopy have opened new avenues for probing quantum phenomena in correlated materials. This study reports the installation and performance of a new side-entry condenZero cryogenic cooling system for JEOL (Scanning) Transmission Electron Microscopes (S/TEM), utilizing compressed liquid helium (LHe) and designed for imaging and spectroscopy at ultra-low temperatures. The system includes an external dewar mounted on a vibration-damping stage and a pressurized, low-noise helium transfer line with a remotely controllable needle valve, ensuring stable and efficient LHe flow with minimal thermal and mechanical noise. Performance evaluation demonstrates a stable base temperature of 4.37 K measured using a Cernox bare chip sensor on the holder with temperature fluctuations within ±0.004 K. Complementary in-situ electron energy-loss spectroscopy (EELS) via aluminum bulk plasmon analysis was used to measure the local specimen temperature and validate cryogenic operation during experiments. The integration of cryogenic cooling with other microscopy techniques, including electron diffraction and Lorentz TEM, was demonstrated by resolving charge density wave (CDW) transitions in NbSe2 using electron diffraction, and imaging nanometric magnetic skyrmions in MnSi via Lorentz TEM. In conclusion, this platform provides reliable cryogenic operation below 7 K, establishing a low-drift route for direct visualization of electronic and magnetic phase transformations in quantum materials.

Charge density wave↗
DOE OSTI2021

Optimal calibration of gates in trapped-ion quantum computers

Abstract To harness the power of quantum computing, it is essential that a quantum computer provide maximal possible fidelity for a quantum circuit. To this end, much work has been done in the context of qubit routing or embedding, i.e., mapping circuit qubits to physical qubits based on gate performance metrics to optimize the fidelity of execution. Here, we take an alternative approach that leverages a unique capability of a trapped-ion quantum computer, i.e., the all-to-all qubit connectivity. We develop a method to determine a fixed number (budget) of quantum gates that, when calibrated, will maximize the fidelity of a batch of input quantum programs. This dynamic allocation of calibration resources on randomly accessible gates, determined using our heuristics, increases, for a wide range of calibration budget, the average fidelity from 70% or lower to 90% or higher for a typical batch of jobs on an 11-qubit device, in which the fidelity of calibrated and uncalibrated gates are taken to be 99% and 90%, respectively. Our heuristics are scalable, more than 2.5 orders of magnitude faster than a randomized method for synthetic benchmark circuits generated based on real-world use cases.

Maksymov, Andrii (ORCID:0000000282442851)↗
DOE OSTI2015

One-pot synthesis of silica-hybridized Ag{sub 2}S–CuS nanocomposites with tunable nonlinear optical properties

Highlights: • Silica modified QDs of CuS and Ag{sub 2}S is developed at room temperature. • Formation of Ag{sub 2}S/CuS nanocomposites is confirmed from XRD and FFT of HRTEM images. • The concentration dependent growth of silica modified QDs is discussed. • Nonlinear absorption observed in ns excitations is dominated by SA and ESA. • Tuning of optical limiting efficiency is achieved with relative Ag{sub 2}S content. - Abstract: In the present work we report a simple, facile route developed for preparing silica hybridized copper sulfide and silver sulfide quantum dots at room temperature. By adjusting the concentration of the precursors, Ag{sub 2}S can form Ag{sub 2}S–CuS nanocomposites which are self regulated in one pot. Their crystalline, structural and optical properties have been investigated in detail, and the optical limiting nature is studied from fluence-dependent transmittance measurements employing short (5 ns) laser pulses at 532 nm. Ag{sub 2}S nanoparticles are found to have large third order nonlinear optical coefficients with a relatively lower optical limiting threshold of 1.7 J cm{sup −2}, while the nonlinearity of the nanocomposites is found to lie in between that of Ag{sub 2}S and CuS nanoparticles. These results suggest pathways for designing good quality optical limiters with tunable optical limiting efficiencies by varying the constituent nanocrystal compositions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Quantum many-body linear algebra, Hamiltonian moments, and a coupled-cluster inspired framework

Here, we propose a general strategy to develop quantum many-body approximations of primitives in linear algebra algorithms. As a practical example, we introduce a coupled-cluster inspired framework to produce approximate Hamiltonian moments and demonstrate its application in various linear algebra algorithms for ground state estimation. Through numerical examples, we illustrate the difference between the ground-state energies arising from quantum many-body linear algebra and those from the analogous many-body perturbation theory. Our results support the general idea of designing quantum many-body approximations outside of perturbation theory, providing a route to new algorithms and approximations.

Algorithms and data structure↗
DOE OSTI2013

Molecular-like Ag clusters sensitized near-infrared down-conversion luminescence in oxyfluoride glasses for broadband spectral modification

Molecular-like Ag clusters sized at 1–4 nm have been stabilized in Pb/Cd-free oxyfluoride glasses, showing broadband excitation/emission characteristics and unique wavelength-dependent luminescent performance with a maximal quantum yield of 26.9%. It was experimentally demonstrated that an energy transfer route of Ag clusters → Tb{sup 3+} → Yb{sup 3+} occurs in Ag{sup +}/Tb{sup 3+}/Yb{sup 3+} tri-doped sample, wherein Ag clusters act as sensitizers for near-infrared down-conversion spectral modification. Hopefully, the proposed strategy that noble metal clusters being applied for harvesting solar radiation may potentially solve the sticky problems of the narrow excitation bandwidth and the low excitation efficiency in rare earth ions doped down-conversion materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Field programmable spin arrays for scalable quantum repeaters

The large scale control over thousands of quantum emitters desired by quantum network technology is limited by the power consumption and cross-talk inherent in current microwave techniques. Here we propose a quantum repeater architecture based on densely-packed diamond color centers (CCs) in a programmable electrode array, with quantum gates driven by electric or strain fields. This ‘field programmable spin array’ (FPSA) enables high-speed spin control of individual CCs with low cross-talk and power dissipation. Integrated in a slow-light waveguide for efficient optical coupling, the FPSA serves as a quantum interface for optically-mediated entanglement. We evaluate the performance of the FPSA architecture in comparison to a routing-tree design and show an increased entanglement generation rate scaling into the thousand-qubit regime. Our results enable high fidelity control of dense quantum emitter arrays for scalable networking.

42 ENGINEERING↗
DOE OSTI2024

Pressure-induced insulator-to-metal transition in the quantum spin liquid candidate lithium ytterbium diselenide

Metallization of quantum spin liquid (QSL) materials has long been considered as a potential route toward unconventional superconductivity. Here, we investigate the pressurization of lithium ytterbium diselenide (LiYbSe 2 ), a three-dimensional QSL candidate with a pyrochlore structure. High-pressure X-ray diffraction (up to 15 GPa) and Raman spectroscopy (up to 48 GPa) reveal no significant structural changes within this pressure range. Remarkably insulating, LiYbSe 2 exhibits a resistance below 10 5 Ω only at pressures exceeding 25 GPa, accompanied by a gradual reduction of band gap upon compression. Interestingly, an insulator-to-metal transition occurs around 68 GPa, and the metallic behavior persists up to 123.5 GPa, the highest pressure achieved in this study. A possible sign of magnetic transitions is also observed. The insulator-to-metal transition in LiYbSe 2 under high pressure presents an ideal platform to explore the pressure effects on QSL candidates of spin-1/2 Yb 3+ systems with various lattice patterns.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms​ ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗
DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms​ ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗
DOE OSTI2014

Quantum coherent transport in SnTe topological crystalline insulator thin films

Topological crystalline insulators (TCI) are unique systems where a band inversion that is protected by crystalline mirror symmetry leads to a multiplicity of topological surface states. Binary SnTe is an attractive lead-free TCI compound; the present work on high-quality thin films provides a route for increasing the mobility and reducing the carrier density of SnTe without chemical doping. Results of quantum coherent magnetotransport measurements reveal a multiplicity of Dirac surface states that are unique to TCI. Modeling of the weak antilocalization shows variations in the extracted number of carrier valleys that reflect the role of coherent intervalley scattering in coupling different Dirac states on the degenerate TCI surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Correlating dynamic strain and photoluminescence of solid-state defects with stroboscopic x-ray diffraction microscopy

Abstract Control of local lattice perturbations near optically-active defects in semiconductors is a key step to harnessing the potential of solid-state qubits for quantum information science and nanoscale sensing. We report the development of a stroboscopic scanning X-ray diffraction microscopy approach for real-space imaging of dynamic strain used in correlation with microscopic photoluminescence measurements. We demonstrate this technique in 4H-SiC, which hosts long-lifetime room temperature vacancy spin defects. Using nano-focused X-ray photon pulses synchronized to a surface acoustic wave launcher, we achieve an effective time resolution of ~100 ps at a 25 nm spatial resolution to map micro-radian dynamic lattice curvatures. The acoustically induced lattice distortions near an engineered scattering structure are correlated with enhanced photoluminescence responses of optically-active SiC quantum defects driven by local piezoelectric effects. These results demonstrate a unique route for directly imaging local strain in nanomechanical structures and quantifying dynamic structure-function relationships in materials under realistic operating conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Probing the antisymmetric Fano interference assisted by a Majorana fermion

As the Fano effect is an interference phenomenon where tunneling paths compete for the electronic transport, it becomes a probe to catch fingerprints of Majorana fermions lying on condensed matter systems. In this work, we benefit of this mechanism by proposing as a route for that an Aharonov-Bohm-like interferometer composed by two quantum dots, being one of them coupled to a Majorana bound state, which is attached to one of the edges of a semi-infinite Kitaev wire within the topological phase. By changing the Fermi energy of the leads and the symmetric detuning of the levels for the dots, we show that opposing Fano regimes result in a transmittance characterized by distinct conducting and insulating regions, which are fingerprints of an isolated Majorana quasiparticle. Furthermore, we show that the maximum fluctuation of the transmittance as a function of the detuning is half for a semi-infinite wire, while it corresponds to the unity for a finite system. The setup proposed here constitutes an alternative experimental tool to detect Majorana excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Microscopic study of the coupled-wire construction and plausible realization in spin-dependent optical lattices

Coupled-wire constructions offer particularly simple and powerful models to capture the essence of strongly correlated topological phases of matter. They often rely on effective theories valid in the low-energy and strong-coupling limits, which impose severe constraints on the physical systems where they could be realized. In this work, we investigate the microscopic relevance of a class of coupled-wire models and their possible experimental realization in cold-atom experiments. We connect with earlier results and prove the emergence of fractional quantum Hall states in the limit of strong interwire tunneling. Contrary to previous studies relying on renormalization group arguments, our microscopic approach exposes the connection between coupled-wire constructions and model wave functions in continuum Landau levels. Then, we use exact-diagonalization methods to investigate the appearance of these fractional quantum Hall states in more realistic settings. We examine the parameter regimes where these strongly correlated phases arise, and provide a way to detect their appearance in cold-atom experiments through standard time-of-flight measurements. Motivated by this experimental probe, we finally propose a realization of our model with cold atoms in spin-dependent optical lattices. Our estimates show that the previous fractional quantum Hall phases lie within experimentally accessible parameter regimes, giving a viable route toward their experimental study.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Final Report: Vapor Transport Deposition for Thin Film III-V Photovoltaics

Silicon, the dominant photovoltaic (PV) technology, is reaching its fundamental performance limits as a single absorber/junction technology. Higher efficiency devices are needed to reduce cost further because the balance of systems account for about two-thirds of the overall cost of the solar electricity. III-V semiconductors such as GaAs are used to make the highest-efficiency photovoltaic devices, but the costs of manufacture are much too high for non-concentrated terrestrial applications. The cost of III-V’s is driven by two factors: (1) metal-organic chemical vapor deposition (MOCVD), the dominant growth technology, employs expensive, toxic and pyrophoric gas-phase precursors, and (2) the growth substrates conventionally required for high-performance devices are monocrystalline III-V wafers. The primary goal of this project was to show that close-spaced vapor transport (CSVT), using water vapor as a transport agent, is a scalable deposition technology for growing low-cost epitaxial III-V photovoltaic devices. The secondary goal was to integrate those devices on Si substrates for high-efficiency tandem applications using interface nanopatterning to address the lattice mismatch. In the first task, we developed a CSVT process that used only safe solid-source powder precursors to grow epitaxial GaAs with controlled n and p doping and mobilities/lifetimes similar to that obtainable via MOCVD. Using photoelectrochemical characterization, we showed that the best material had near unity internal quantum efficiency for carrier collection and minority carrier diffusions lengths in of ~ 8 μm, suitable for PV devices with >25% efficiency. In the second task we developed the first pn junction photovoltaics using CSVT and showed unpassivated structures with open circuit photovoltages > 915 mV and internal quantum efficiencies >0.9. We also characterized morphological and electrical defects and identified routes to reduce those defects. In task three we grew epitaxial ternary GaAsxP 1-x and In 0.5 Ga 0.5 P alloys, with composition set by the ratio of GaAs/GaP or InP/GaP mixed as the source powder. GaAs 0.3 P 0.7 has the appropriate bandgap to serve as a top cell on Si and In 0.5 Ga 0.5 P is near the composition used as a surface passivation layer on GaAs pn junction photovoltaics. In the final task we demonstrated III-V selective area epitaxy using CSVT as a first step toward the growth of III-V micro- or nanostructures for an integrated tandem solar cell on Si. We also found that direct epitaxial growth on Si appears to be impossible in the current H 2 O-CSVT reactor design, likely due to the formation of SiO x . This work sets the stage for targeted development of an improved CSVT process and for the scale up of the proof-of-concept work from a research to manufacturing-relevant platform. Replacing H 2 O as a transport agent with HCl would provide the ability to deposit directly on Si by avoiding oxide formation and to allow for the deposition of Al-containing alloys that would otherwise oxidize. Improved engineering design and implementation of an in-line multi-station CSVT would allow for direct deposition of device structures in a single system.

14 SOLAR ENERGY↗