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At least 145 records · Page 8

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DOE OSTI2025

Ternary molecular switching in a single-crystal optical actuator with correlated crystal strain

A growing portfolio of single-crystal optical actuators is forging a new class of photonic materials that hold prospects for quantum technologies. Ruthenium-based complexes that exhibit this phenomenon via SO 2 -linkage photoisomerisation are of particular interest since they display multiple metastable states, once induced by green light; yet, complete photoconversion into each SO 2 -isomeric state is rarely achieved. We discover a new complex, trans-[Ru(SO 2 )(NH 3 ) 4 (4-bromopyridine)]tosylate 2 , that produces 100% photoconverted η 1 -OSO isomeric crystal structures at 90 K, which fully transition into η 2 -(OS)O photoisomers upon warming to 100 K, while the dark-state η 1 -SO 2 structure is wholly recovered by heating the crystal to room temperature. Crystal structures and optical-absorption profiles of each state are captured via in-situ light-induced single-crystal X-ray diffraction and optical-absorption spectroscopy. Results show that both photoisomeric species behave as optical switches, but with distinct optical properties. The photoisomerisation process causes thermally-reversible micro- and nanoscopic crystal strain, as characterised by optical microscopy and in-situ light-induced atomic-force microscopy.

actuators↗

DOE OSTI2025

Enabling ambient stability and quantum integration of organometallic magnonic ferrimagnets via atomic layer encapsulation

Magnons, the quanta of spin waves in magnetic materials, are promising for hybrid quantum systems by bridging electromagnetic and spin degrees of freedom. The organometallic ferrimagnet vanadium tetracyanoethylene (V[TCNE] x , x ≈ 2) is especially well-suited for quantum magnonics due to its low Gilbert damping and substrate versatility. However, its rapid chemical degradation in ambient conditions hinders practical applications. Incumbent encapsulation methods provide some protection, but are bulky, obscure intrinsic properties of V[TCNE] x , introduce thermal stress at cryogenic temperatures, and complicate microwave device integration. Here, we demonstrate that ultrathin alumina films deposited via low-temperature atomic layer deposition effectively protect V[TCNE] x by preserving its magnetic and magnonic properties following ambient exposure. The sub-100 nm transparent films also enable advanced spectroscopy, magnetometry, and cavity magnonic measurements that reveal the intrinsic properties of V[TCNE] x . This encapsulation strategy advances molecule-based quantum information science by providing a robust route toward scalable, monolithic integration in hybrid quantum technologies.

magnetic materials↗

DOE OSTI2026

Excitons in van der Waals magnetic materials

Two-dimensional magnetic semiconductors provide a unique platform where long-range magnetic order coexists with strongly bound excitons. Because excitonic states and magnetic moments originate from the same electronic orbitals and couple via intrinsic exchange interactions, optical excitations in these systems exhibit pronounced sensitivity to magnetic order. Recent experiments show unusually strong magneto-optical responses and direct exciton–magnon coupling, establishing new routes for controlling light–matter interactions with spin degrees of freedom. Here, this Review surveys key developments, focusing on representative material systems, experimental signatures, and theoretical frameworks used to describe these phenomena. We conclude with perspectives on how this rapidly evolving field could enable next-generation optoelectronic and quantum technologies leveraging the coupled dynamics of light, charge and spin.

36 MATERIALS SCIENCE↗

DOE OSTI2025

3D nanolithography with metalens arrays and spatially adaptive illumination

The growing demand for advanced materials, miniaturized devices and integrated microsystems calls for the reliable fabrication of complex, multiscale, three-dimensional (3D) architectures, a need increasingly addressed through light-based and laser-based processes. However, owing to the field-of-view (FOV) limitations of conventional imaging optics, existing 3D laser nanofabrication techniques face fundamental challenges in throughput, proximity error and stitching defects on the path to scaling. Here, in this study, we present a scalable 3D nanofabrication platform that uses a metalens-generated focal spot array to parallelize two-photon lithography (TPL) beyond centimetre-scale write field areas. Metalenses are ideally suited for producing submicron-scale focal spots for high-throughput nanolithography, as they uniquely feature large numerical apertures (NAs), immersion media compatibility and large-scale manufacturability. We experimentally demonstrate a printing system that uses a 12-cm 2 metalens array to produce more than 120,000 cooperative focal spots, corresponding to a throughput exceeding 10 8 voxels s −1 . By programmatically patterning the focal spot array using a spatial light modulator (SLM), an adaptive parallel printing strategy is developed for precise greyscale linewidth modulation and choreographed printing of semiperiodic and fully aperiodic 3D geometries. We demonstrate parallel printing of replicated microstructures (>50 M microparticles per day), centimetre-scale 3D architectures with feature sizes down to 113 nm, and photonic and mechanical metamaterials. This work demonstrates the potential of 3D nanolithography towards wafer-scale production, showing how TPL could be used at scale for applications in microelectronics, biomedicine, quantum technology and high-energy laser targets.

Materials science↗

DOE OSTI2024

Radiatively cooled quantum microwave amplifiers

Superconducting microwave amplifiers are essential for sensitive signal readout in superconducting quantum processors. Typically based on Josephson junctions, these amplifiers require operation at milli-Kelvin temperatures to achieve quantum-limited performance. Here, we demonstrate a quantum microwave amplifier that employs radiative cooling to operate at elevated temperatures and maintain near quantum-limited added noise. This kinetic-inductance-based parametric amplifier, patterned from a single layer of relatively high-Tc NbN thin film, maintains a high gain and meanwhile enables low added noise of 1.3 quanta when operated at 1.5 K. Remarkably, this represents only a 0.2 quanta increase compared to the performance at a base temperature of 0.1 K. Based on our findings, we also discuss the practicality of such an operating scheme for various quantum applications. By uplifting the parametric amplifiers from the mixing chamber without compromising readout efficiency, this work represents an important step toward more scalable microwave quantum technologies.

Physics↗

DOE OSTI2025

Nanometer-thick ultraflat cantilever resonators

Nanomechanical devices made from ultrathin materials are transforming diverse fields, including sensing, signal processing, and quantum technologies. However, as these materials become thinner, their low bending rigidity poses significant fabrication challenges, and achieving nanometer-thick flat cantilevers with consistent and predictable mechanical responses has remained elusive despite decades of research. Here we present nanometer-thick, ultraflat cantilever resonators fabricated using atomic layer deposition. By effectively mitigating the effects of uncontrollable built-in strain and geometric disorder, the ultraflat nanocantilevers exhibit resonance frequencies closely aligned with thin-plate theory predictions and display low sample-to-sample variability. These cantilevers maintain mechanical stability in both vacuum and air environments, even at large length-to-thickness ratios of up to 3000. The ultraflat nanocantilevers are approaching the thickness limit, beyond which thermal fluctuations at room temperature can spontaneously induce random ripples in otherwise flat films.

nanofabrication↗

DOE OSTI2025

Artificial intelligence for advanced functional materials: exploring current and future directions

This perspective addresses the topic of harnessing the tools of artificial intelligence (AI) for boosting innovation in functional materials design and engineering as well as discovering new materials for targeted applications in energy storage, biomedicine, composites, nanoelectronics or quantum technologies. It gives a current view of experts in the field, insisting on challenges and opportunities provided by the development of large materials databases, novel schemes for implementing AI into materials production and characterization as well as progress in the quest of simulating physical and chemical properties of realistic atomic models reaching the trillion atoms scale and with near ab initio accuracy.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Mode Multiplexing for Scalable Cavity-Enhanced Operations in Neutral-Atom Arrays

Neutral-atom arrays provide a versatile platform for quantum information processing. However, in large-scale arrays, efficient photon collection remains a bottleneck for key tasks such as fast, nondestructive qubit readout and remote entanglement distribution. We propose a cavity-based approach that enables fast, parallel operations over many atoms using multiple modes of a single optical cavity. By selectively shifting the relevant atomic transitions, each atom can be coupled to a distinct cavity mode, allowing independent simultaneous processing. We present practical system designs that support cavity-mode multiplexing with up to 50 modes, enabling rapid mid-circuit syndrome extraction and significantly enhancing entanglement distribution rates between remote atom arrays. This approach offers a scalable solution to core challenges in neutral-atom arrays, advancing the development of practical quantum technologies.

Aqua, Ziv [Massachusetts Institute of Technology (↗

DOE OSTI2025

First-Principles Framework for the Prediction of Intersystem Crossing Rates in Spin Defects: The Role of Electron Correlation

Optically active spin defects in solids are promising platforms for quantum technologies. In this work, we present a first-principles framework to investigate intersystem crossing processes, which represent crucial steps in the optical spin-polarization cycle used to address spin defects. Considering the nitrogen-vacancy center in diamond as a case study, we demonstrate that our framework effectively captures electron correlation effects in the calculation of many-body electronic states and their spin-orbit coupling and electron-phonon interactions, while systematically addressing finite-size effects. We validate our predictions by carrying out measurements of fluorescence lifetimes, finding excellent agreement between theory and experiments. The framework presented here provides a versatile and robust tool for exploring the optical cycle of varied spin defects entirely from first principles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

High-Temperature Observation of Intralayer, Interlayer, and Rydberg Excitons in Bulk Van Der Waals Alloy Single Crystals

Transition metal dichalcogenides exhibit remarkable optical properties due to the diverse number of strongly bound excitons, which can be fine-tuned by alloying. Despite a flurry of research activity in characterizing these excitons, a comprehensive and profound understanding of their behavior with temperature is lacking. Here, we report the rich spectrum of excitonic features within bulk van der Waals alloy Mo0.5 W0.5 S2 and Mo0.5 W0.5 Se2 single crystals through temperature-dependent reflectance spectroscopy and first-principles calculations. We observed Rydberg excitons and interlayer excitons in both the single crystals. Notably, we provide the first experimental evidence of highly energetic A' and B' excitons in Mo0.5 W0.5 S2 at room temperature. The strong carrier-phonon scattering significantly broadens the A', B', and interlayer excitons at room temperature in bulk Mo0.5 W0.5 S2 single crystal compared to its selenide. Our findings, supported by density functional theory and Bethe-Salpeter equation calculations, signify the crucial role of carrier-phonon interactions. These results open pathways for next-generation optoelectronic devices and quantum technologies operating at high temperature.

excitons↗

DOE OSTI2025

Evolution of surface morphology from Stranski–Krastanov growth mode to step-flow growth mode in InSbBi thin films

The incorporation of dilute concentrations of bismuth (Bi) into traditional III–V alloys leads to a significant reduction in bandgap energy, making InSbBi a promising candidate for long-wavelength (<0.17 eV) infrared photosensors. InSbBi offers potential as a platform for exploring spin dynamics and quantum phenomena due to its strong spin–orbit coupling. Despite this promise, the material quality of InSbBi alloys remains inferior to that of conventional III–V semiconductors, primarily due to the substantial challenges associated with incorporating Bi into InSb and producing high-quality InSbBi with varying Bi compositions. In this study, we address these issues by developing a molecular beam epitaxy approach to grow smooth InSbBi thin films with tunable Bi incorporation up to 1.8% of the group V sublattice, through dynamic adjustment of Sb flux and careful control of the interplay between growth temperature and the Bi flux. In conclusion, this work paves way for the development of high-quality InSbBi thin films for applications in photodetection, spintronics, and related quantum technologies.

Edirisinghe, Chandima Kasun [Univ. of Tennessee, K↗

DOE OSTI2025

Observation of the magnonic Dicke superradiant phase transition

Two-level atoms ultrastrongly coupled with single-mode cavity photons are predicted to exhibit a quantum phase transition, entering a phase in which both the atomic polarization and the photonic field are finite even without external driving. However, this phenomenon, the superradiant phase transition (SRPT), is forbidden by a no-go theorem due to the existence of the diamagnetic term. Here, we present spectroscopic evidence for a magnonic SRPT in ErFeO 3 , where the role of the photonic mode (two-level atoms) in the photonic SRPT is played by an Fe 3+ magnon mode (Er 3+ spins). The absence of the diamagnetic term in the Fe 3+ -Er 3+ exchange coupling ensures that the no-go theorem does not apply. Ultrabroadband terahertz and gigahertz magnetospectroscopy experiments revealed the signatures of the SRPT in thermal equilibrium, a kink and a softening, respectively, of two spin-magnon hybridized modes at the critical point. Systems near this phase are expected to harbor large-scale squeezing, which will potentially provide a route to next-generation quantum technologies.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2025

A dissipation-induced superradiant transition in a strontium cavity-QED system

Driven-dissipative many-body systems are ubiquitous in nature and a fundamental resource for quantum technologies. However, they are also complex and hard to model because they cannot be described by the standard tools in equilibrium statistical mechanics. Probing nonequilibrium critical phenomena in pristine setups can illuminate fresh perspectives on these systems. Here, we use an ensemble of cold 88 Sr atoms coupled to a driven high-finesse cavity to study the cooperative resonance fluorescence (CRF) model, a classic driven-dissipative model describing coherently driven dipoles superradiantly emitting light. We observe its nonequilibrium phase diagram characterized by a second-order phase transition. Below a critical drive strength, the atoms quickly reach the so-called superradiant steady state featuring a macroscopic dipole moment; above the critical point, the atoms undergo persistent Rabi-like oscillations. At longer times, spontaneous emission transforms the second-order transition into a discontinuous first-order transition. Our observations pave the way for harnessing robust entangled states and exploring boundary time crystals in driven-dissipative systems.

Science & Technology - Other Topics↗

DOE OSTI2025

A high-resolution molecular spin-photon interface at telecommunication wavelengths

Optically addressable electronic spins in polyatomic molecules are a promising platform for quantum information science, with the potential to enable scalable qubit design and integration through atomistic tunability and nanoscale localization. However, optical state- and site-selection are an open challenge. Here, in this work, we introduce an organo-erbium spin qubit in which narrow (megahertz-scale) optical and spin transitions couple to provide high-resolution access to spin degrees of freedom with telecommunication-frequency light. This spin-photon interface enables demonstration of optical spin polarization and readout that distinguishes between spin states and magnetically inequivalent sites in a molecular crystal. Operation at frequencies compatible with mature photonic and microwave devices provides an opportunity for engineering scalable, integrated molecular spin-optical quantum technologies.

Weiss, Leah R. [University of Chicago, IL (United ↗

DOE OSTI2025

Advancing Quantum Many-Body GW Calculations on Exascale Supercomputing Platforms

Advanced ab initio materials simulations face growing challenges as increasing systems and phenomena complexity requires higher accuracy, driving up computational demands. Quantum many-body GW methods are state-of-the-art for treating electronic excited states and couplings but often hindered due to the costly numerical complexity. Here, we present innovative implementations of advanced GW methods within the BerkeleyGW package, enabling large-scale simulations on Frontier and Aurora exascale platforms. Our approach demonstrates exceptional versatility for complex heterogeneous systems with up to 17,574 atoms, along with achieving true performance portability across GPU architectures. We demonstrate excellent strong and weak scaling to thousands of nodes, reaching double-precision core-kernel performance of 1.069 ExaFLOP/s on Frontier (9,408 nodes) and 707.52 PetaFLOP/s on Aurora (9,600 nodes), corresponding to 59.45% and 48.79% of peak, respectively. Our work demonstrates a breakthrough in utilizing exascale computing for quantum materials simulations, delivering unprecedented predictive capabilities for rational designs of future quantum technologies.

Zhang, Benran [University of Southern California, ↗

DOE OSTI2026

CMOS-fabricated ultraviolet light modulator using low-loss alumina piezo-optomechanical photonics

Ultra-violet (UV) and near-UV wavelengths are necessary for many important optical transitions for quantum technologies and various sensing mechanisms for biological and chemical detection. However, all well-known photonic platforms have excessively high losses in the UV, which has prevented photonic integrated circuits (PICs) being used to address these and other important application spaces. Photonic waveguides using low-loss alumina cores and silicon dioxide cladding have emerged as a promising solution because of alumina’s large optical bandgap and the high quality of films enabled by atomic layer deposition. These properties allow passive, low-loss waveguide operation down to at least 266 nm using multimode widths. However, to the best of our knowledge, active alumina PICs have only been realized using thermo-optic tuning, which precludes switching speeds shorter than approximately 100 microseconds, high circuit densities, and cryogenically compatible operation. Here, we introduce a CMOS-fabricated, piezo-optomechanical PIC platform using alumina waveguides and piezoelectric aluminum nitride strain actuators. The platform allows for sub-microsecond switching times, high circuit densities, and cryogenic operation which is desired in many UV PIC applications. We demonstrate a high-performance, reconfigurable optical filter operating at wavelengths as low as 320 nm. The filter has a 6-nanosecond switching time, a loaded linewidth of 3.3 GHz, tuning rate of 28 V/linewidth, and a hold power of less than 20 nW at one linewidth detuning. This work establishes the foundations for a new class of CMOS-fabricated, rapidly reconfigurable, and low-power UV photonic circuits compatible with wavelengths as low as 225 nm.

Castillo, Zachary A. [Sandia National Laboratories↗

DOE OSTI2024

Machine Learning for Predictive Performance Analysis in Charged Particle Beam Tools

Imaging methods driven by probes, electrons, and ions have played a dominant role in modern science and engineering. Opportunities for machine vision and AI that focus on consumer problems like driving and feature recognition, are now presenting themselves for automating aspects of the scientific processes. This proposal aims to enable and drive discovery in ultra-low energy implantation by taking advantage of faster processing, flexible control and detection methods, and architecture-agnostic workflows that will result in higher efficiency and shorter scientific development cycles. Custom microscope control, collection and analysis hardware will provide a framework for conducting novel in situ experiments revealing unprecedented insight into surface dynamics at the nanoscale. Ion implantation is a key capability for the semiconductor industry. As devices shrink, novel materials enter the manufacturing line, and quantum technologies transition to being more mainstream. Traditional implantation methods fall short in terms of energy, ion species, and positional precision. Here we demonstrate 1 keV focused ion beam Au implantation into Si and validate the results via atom probe tomography. We show the Au implant depth at 1 keV is 0.8 nm and that identical results for low energy ion implants can be achieved by either lowering the column voltage, or decelerating ions using bias – while maintaining a sub-micron beam focus. We compare our experimental results to static calculations using SRIM and dynamic calculations using binary collision approximation codes TRIDYN and IMSIL. A large discrepancy between the static and dynamic simulation is found that is due to lattice enrichment with high stopping power Au and surface sputtering. Additionally, we demonstrate how model details are particularly important to the simulation of these low-energy heavy-ion implantations. Finally, we discuss how our results pave a way to much lower implantation energies, while maintaining high spatial resolution.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Demonstrating the Potential of Adaptive LMS Filtering on FPGA-Based Qubit Control Platforms for Improved Qubit Readout in 2D and 3D Quantum Processing Units

Advancements in quantum computing underscore the critical need for sophisticated qubit readout techniques to accurately discern quantum states. This abstract presents our research intended for optimizing readout pulse fidelity for 2D and 3D Quantum Processing Units (QPUs), the latter coupled with Superconducting Radio Frequency (SRF) cavities. Focusing specifically on the application of the Least Mean Squares (LMS) adaptive filtering algorithm, we explore its integration into the FPGA-based control systems to enhance the accuracy and efficiency of qubit state detection by improving Signal-to-Noise Ratio (SNR). Implementing the LMS algorithm on the Zynq UltraScale+ RFSoC Gen 3 devices (RFSoC 4x2 FPGA and ZCU216 FPGA) using the Quantum Instrumentation Control Kit (QICK) open-source platform, we aim to dynamically test and adjust the filtering parameters in real-time to characterize and adapt to the noise profile presented in quantum computing readout signals. Our preliminary results demonstrate the LMS filter's capability to maintain high readout accuracy while efficiently managing FPGA resources. These findings are expected to contribute to developing more reliable and scalable quantum computing architectures, highlighting the pivotal role of adaptive signal processing in quantum technology advancements.

Johnson, Hans↗