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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Modulating spin-valley relaxation in WSe 2 with variable thickness VOPc layers

Combining the synthetic tunability of molecular compounds with the optical selection rules of transition metal dichalcogenides (TMDCs) that derive from spin-valley coupling could provide interesting opportunities for the readout of quantum information. However, little is known about the electronic and spin interactions at such interfaces and the influence on spin-valley relaxation. Here, in this work, vanadyl phthalocyanine (VOPc) molecular layers are thermally evaporated on WSe 2 to explore the effect of molecular layer thickness on excited-state spin-valley polarization. The thinnest molecular layer supports an interfacial state which destroys the spin-valley polarization almost instantaneously, whereas a thicker molecular layer results in longer-lived spin-valley polarization than the WSe 2 monolayer alone. The mechanism appears to involve a tightly bound species at the molecule/TMDC interface that strengthens exchange interactions and is largely avoided in thicker VOPc layers that isolate electrons from WSe 2 holes.

2D materials↗
DOE OSTI2024

Error-correcting codes for fermionic quantum simulation

Utilizing the framework of \mathbb{Z}_2 ℤ 2 lattice gauge theories in the context of Pauli stabilizer codes, we present methodologies for simulating fermions via qubit systems on a two-dimensional square lattice. We investigate the symplectic automorphisms of the Pauli module over the Laurent polynomial ring. This enables us to systematically increase the code distances of stabilizer codes while fixing the rate between encoded logical fermions and physical qubits. We identify a family of stabilizer codes suitable for fermion simulation, achieving code distances of d=2,3,4,5,6,7, allowing correction of any \lfloor \frac{d-1}{2} \rfloor ⌊ d − 1 2 ⌋ -qubit error. In contrast to the traditional code concatenation approach, our method can increase the code distances without decreasing the (fermionic) code rate. In particular, we explicitly show all stabilizers and logical operators for codes with code distances of d=3,4,5. We provide syndromes for all Pauli errors and invent a syndrome-matching algorithm to compute code distances numerically.

Physics↗
DOE OSTI2020

Large Nernst Effect and Thermodynamics Properties in Weyl Antiferromagnet

The noncollinear antiferromagnet Mn3Sn exhibits a large anomalous Hall effect (AHE) driven by a large Berry curvature despite the vanishingly small magnetization. Theoretically, the large Berry curvature in antiferromagnets is predicted to be induced by the time-reversal breaking Weyl state in momentum space. Here, we comprehensively study the thermal conductivity, specific heat, thermoelectric power S(T), and thermomagnetic power S ji (T) in single crystals of Mn 3 Sn. Mn 3 Sn exhibited a large spontaneous anomalous Nernst effect (ANE) at room temperature; in particular, the signal magnitude of Mn 3 Sn exceeded 0.6 µV/K, which is comparable to that of ordinary ferromagnets. The large ANE results from the magnetic Weyl states near the Fermi level E F and likely shares its origin with the AHE. Moreover, the possibility of Nernst-type thermoelectric modules was evaluated by analyzing the basic thermal and electric physical properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Commuting Line Defects At $q^N$ = 1

Here, we explain the physical origin of a curious property of algebras $\mathcal{A}_{\mathfrak{q}}$ which encode the rotation-equivariant fusion ring of half-BPS line defects in four-dimensional $\mathcal{N}$ = 2 supersymmetric quantum field theories. These algebras are a quantization of the algebras of holomorphic functions on the three-dimensional Coulomb branch of the SQFTs, with deformation parameter log $\mathfrak{q}$. They are known to acquire a large center, canonically isomorphic to the undeformed algebra, whenever $\mathfrak{q}$ is a root of unity. We give a physical explanation of this fact. We also generalize the construction to characterize the action of this center in the $\mathcal{A}_{\mathfrak{q}}$-modules associated to three-dimensional $\mathcal{N}$ = 2 boundary conditions. Finally, we use dualities to relate this construction to a construction in the Kapustin–Witten twist of four-dimensional $\mathcal{N}$ = 4 gauge theory. These considerations give simple physical explanations of certain properties of quantized skein algebras and cluster varieties, and quantum groups, when the deformation parameter is a root of unity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Electrochemical Degradation Modes in Bifacial Silicon Photovoltaic Modules

Motivated by the rapidly rising deployment of bifacial monocrystalline-silicon photovoltaics (PV), we investigate the durability of various PV module packaging configurations with transparent coverings on both the front and rear sides of the module. We use a series of bifacial passivated emitter and rear cell (p-PERC) mini-modules with systematically varying outer cover materials (glass/glass, G/G, or glass/transparent backsheet, G/TB) and encapsulant chemistries (poly [ethylene-co-vinyl acetate], EVA; or polyolefin, POE). We study degradation modes over 1,000 hours of combined damp heat (DH) exposure and high system voltages that can cause potential-induced degradation (PID) under positive, zero, or negative 1,000 V cell-to-frame bias. We analyze the degradation modes using a combination of current-voltage measurements, impedance spectroscopy, external quantum efficiency, and spatially resolved luminescence and thermal imaging. Our results highlight various types of degradation including shunting, enhanced recombination, and series resistance increases, and we use spatially resolved characterization to separately identify the localized effects. We show that multiple PID and moisture-ingress degradation modes severely affect EVA-containing modules, with previously reported PID processes under negative-bias DH and a unique observation of rear-side surface recombination in G/EVA/G modules under positive-bias DH. We observe significantly less degradation in POE-containing modules, where the G/POE/G configuration exhibits minimal degradation under all stress conditions that we employ.

14 SOLAR ENERGY↗
DOE OSTI2026

Harnessing the Spin-Flip Radiative Lifetimes of Optically Addressable Molecular Qubits

Optically addressable molecular qubits based on spin-flip (SF) emissive transitions are promising candidates for quantum technologies due to their sharp luminescence lines and tunable optical-spin interfaces. Yet, the microscopic mechanisms controlling the spin-flip radiative lifetime of SF emitters, a key property for efficient spin readout, remain largely unexplored. Here, we present a computational study of several Cr 4+ and Mo 4+ pseudotetrahedral molecular qubits, and we identify chemical and structural features that influence the transition dipole moment associated with the SF emission, which, in turn, governs the SF radiative lifetime. We find that the magnitude of the dipole moment is governed by the multireference character of the spin-flip excited-state wave function, which can be modulated by tuning the energy separation between the d orbitals of the metal and the spin-pairing energy. Both parameters are sensitive to molecular symmetry, metal–ligand bond covalency, and bond anisotropy and leave room for modulation via ligand and metal design, as well as applied strain, which is relevant for sensing applications. Our findings provide a mechanistic framework for understanding and tuning the spin-flip radiative behavior of molecular qubits and SF emitters that may guide future advances in quantum information science.

molecular qubits↗
DOE OSTI2025

Fault-tolerant optical interconnects for neutral-atom arrays

We analyze the use of photonic links to enable large-scale fault-tolerant connectivity of locally error-corrected modules based on neutral atom arrays. Our approach makes use of recent theoretical results showing the robustness of surface codes to boundary noise and combines recent experimental advances in atom-array quantum computing with logical qubits with optical quantum networking techniques. We find the conditions for fault tolerance can be achieved with local two-qubit Rydberg gate and nonlocal Bell-pair errors below 1% and 10%, respectively, without requiring distillation or space-time overheads. Realizing the interconnects with a lens, a single optical cavity, or an array of cavities enables—with sufficient multiplexing—a Bell-pair generation rate in the 1–50 MHz range. When directly interfacing logical qubits, this rate translates to error-correction cycles in the 25–2000 kHz range, satisfying all requirements for fault tolerance and in the upper range fast enough for 100 kHz logical clock cycles. Published by the American Physical Society 2025

Sinclair, Josiah (ORCID:0000000215238295)↗
DOE OSTI2024

Truncated nonlinear interferometer-based sensor system

A truncated non-linear interferometer-based sensor system includes an input port that receives an optical beam and a non-linear amplifier that amplifies the optical beam with a pump beam and renders a probe beam and a conjugate beam. The system's local oscillators have a relationship with the respective beams. The system includes a sensor that transduces an input with the probe beam and the conjugate beam or their respective local oscillators. It includes one or more phase-sensitive detectors that detect a phase modulation between the respective local oscillators and the probe beam and the conjugate beam. Output from the phase-sensitive-detectors is based on the detected phase modulation. The phase-sensor-detectors include measurement circuitry that measure the phase signals. The measurement is the sum or difference of the phase signals in which the measured combination exhibit a quantum noise reduction in an intensity difference or a phase sum or an amplitude difference quadrature.

Pooser, Raphael C.↗
DOE OSTI2022

Generating Bright Emissive States by Modulating the Bandgap of Monolayer Tungsten Diselenide

Transition metal dichalcogenides (TMDs) are essential due to their fascinating electronic and optical properties, strong exciton binding energy, and layer-dependent bandgap. They can be tuned to function as a single-photon emitter, but the quantum yield of photoluminescence of single-layer WSe 2 is low. There is some evidence that a bright emissive state can be produced by introducing local defects through functionalization. In this paper we use spin-polarized periodic density functional theory (DFT) to study the effect of functionalization for the specific case of cyclic carbenes. We find that the simplest of these molecules, cyclopentadiene carbene (Cyc), binds to the surface by a covalent bond leading to a substantial change in the bandgap (1.24 eV compared to 1.64 eV for the pristine surface). Moreover, there are semiflat bands below the Fermi level that originate from σ bonding and the interaction between the lone-pair p orbitals on the carbon of Cyc that bonds with Se on the TMD. Cyc is found to form a Type IIa heterojunction before and after contact with the surface, where the “a” refers to ordering of the energy levels where the TMD levels have the larger splitting and “b” to the reverse. The effect of various electron-withdrawing and electron-donating groups on Cyc is investigated, and it is found that the direct bandgap and heterointerfaces can be chemically tuned with covalently bound functional groups. With an electron-withdrawing group (EWG) such as –CHO, –COCl, and –CN attached to Cyc, a Type III//Type IIa interface is formed, whereas all other EWGs used in this study form a Type IIa junction, before and after contact to the surface. The electron-donating groups (EDG) form Type Ib//Type Ia junctions, and in particular, we find that the system WSe 2 + Cyc-Me band structure consists of semiflat bands at valence band maxima localized on Cyc-Me and the conduction band minimum is coupled between the surface and functional group with a direct bandgap of 0.88 eV. Hence, we predict that the Cyc-Me-functionalized monolayer WSe 2 will produce a red-shifted bright emissive state. Furthermore, we also find that carbenes with the Cyc all-carbon ring have (1) a triplet ground state and (2) form covalent bonds to WSe 2 , while heterocyclic carbenes (1) have a singlet ground state and (2) do not form covalent bonds to WSe 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Entangling quantum logic gates in neutral atoms via the microwave-driven spin-flip blockade

The Rydberg dipole blockade has emerged as the standard mechanism to induce entanglement between neutral-atom qubits. In these protocols, laser fields that couple qubit states to Rydberg states are modulated to implement entangling gates. Here, in this study, we present an alternative protocol to implement entangling gates via Rydberg dressing and a microwave-field-driven spin-flip blockade. We consider the specific example of qubits encoded in the clock states of cesium. An auxiliary hyperfine state is optically dressed so that it acquires partial Rydberg character. It thus acts as a proxy Rydberg state, with a nonlinear light shift that plays the role of blockade strength. A microwave-frequency field coupling a qubit state to this dressed auxiliary state can be modulated to implement entangling gates. Logic gate protocols designed for the optical regime can be imported to this microwave regime, for which experimental control methods are more robust. We show that unlike the strong dipole-blockade regime usually employed in Rydberg experiments, going to a moderate-spin-flip-blockade regime results in faster gates and smaller Rydberg decay. We study various regimes of operations that can yield high-fidelity two-qubit entangling gates and characterize their analytical behavior. In addition to the inherent robustness of microwave control, we can design these gates to be more robust to laser amplitude and frequency noises at the cost of a small increase in Rydberg decay.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Probing the ultrafast gain and refractive index dynamics of a VECSEL

Typically, strong gain saturation and gain dynamics play a crucial role in semiconductor laser mode-locking. While there have been several investigations of the ultrafast gain dynamics in vertical-external-cavity surface-emitting lasers (VECSELs), little is known about the associated refractive index changes. Yet, such refractive index changes do not only have a profound impact on the pulse formation process leading to self-phase modulation, which needs to be compensated by dispersion, but they are also of particular relevance for assessing the feasibility of Kerr-lens mode-locking of VECSELs. Here, we measure both refractive index as well as gain dynamics of a VECSEL chip using the ultrafast beam deflection method. We find that, in contrast to the gain dynamics, the refractive index dynamics is dominated by an instantaneous (100 fs) and a very slow component (100 ps). The time-resolved measurement of nonlinear refraction allows us to predict a pulse-length dependent, effective nonlinear refractive index n 2,eff , which is shown to be negative and on the order of 10 -16 m 2 =W for short pulse lengths (100 fs). It becomes positive for large excitation fluences and large pulse lengths (few ps). These results agree with some previous reports of self-mode-locked VECSELs for which the cavity design and pulse properties determine sign and strength of the nonlinear refractive index when assuming Kerr-lens mode-locking.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Regulation of Energy and Mass Transport in a Hydrogen-Bonded Framework for Visible-Light-Driven CO2 Reduction in Water

Photoenzymatic reduction of CO2 to formate is a promising strategy for carbon valorization, yet its efficiency is still limited by inefficient energy and mass transport. Here, we design a series of isostructural hydrogen-bonded organic frameworks (HOFs) that establish confinement effects to promote photocatalytic NADH regeneration and the subsequent NADH-dependent enzymatic CO2-to-formate reduction. We demonstrate that spatial confinement within the framework channels localizes exciton migration to nanoscale domains and promotes interfacial dissociation. Additionally, Rh-induced electronic-structure modulation enables ultrafast electron transfer, while the intrinsic hydrogen-bond network furnishes directional proton conduction to NAD+. These synergistic regulations afford a photocatalytic NADH regeneration efficiency of 99.8% with a record apparent quantum efficiency of 32.8%, and drive formate production at a rate of 3020 μmol g-1 h-1 with 100% selectivity─the highest rate reported to date for all light-driven systems in water. The HOF-based catalyst retains 86.3% of its initial activity over five cycles, highlighting its robustness. This work offers mechanistic insight into how microenvironment engineering within HOF architectures regulates energy and mass transport in photoenzymatic catalysis, paving the way for the rational design of advanced hybrid catalytic systems.

Xu, Jiaxing↗
DOE OSTI2020

Magic-angle semimetals

Abstract Breakthroughs in two-dimensional van der Waals heterostructures have revealed that twisting creates a moiré pattern that quenches the kinetic energy of electrons, allowing for exotic many-body states. We show that cold atomic, trapped ion, and metamaterial systems can emulate the effects of a twist in many models from one to three dimensions. Further, we demonstrate at larger angles (and argue at smaller angles) that by considering incommensurate effects, the magic-angle effect becomes a single-particle quantum phase transition (including in a model for twisted bilayer graphene in the chiral limit). We call these models “magic-angle semimetals”. Each contains nodes in the band structure and an incommensurate modulation. At magic-angle criticality, we report a nonanalytic density of states, flat bands, multifractal wave functions that Anderson delocalize in momentum space, and an essentially divergent effective interaction scale. As a particular example, we discuss how to observe this effect in an ultracold Fermi gas.

Materials Science↗
DOE OSTI2021

Measurement of third-order elastic constants using thermal modulation of ultrasonic waves

Third-order elastic constants (TOEC) play an important role in nonlinear material characterization, but measurements of TOEC are laborious with large error margins. This Letter presents the equations of wave velocity changes caused by homogeneous temperature variation and uniaxial stress in isotropic media and the expression of TOEC in terms of thermally induced velocity change and thermal strain. TOEC of an aluminum sample were experimentally determined by measuring ultrasonic wave velocity changes in the uniaxial loading test and the thermal modulation test. Experimental results showed good agreement between the two test methods. Owing to the simple test setup and high measurement sensitivity, the thermal modulation test is a potential experimental method to determine TOEC and absolute acoustic nonlinearity parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Possibility of reducing nonlinear distortions of a frequency response of a gas ring laser with a periodic alternating frequency bias

We report a theoretical study of the dependence of the beat frequency of counterpropagating waves on the rotation velocity in a gas ring laser with a periodic alternating frequency bias. Rectangular biases of two types are considered: with constant amplitude and with periodic amplitude modulation. We have found dynamic zones for locking-in the counterpropagating wave frequencies and determined deviations of the frequency response from the ideal one that arise when measuring frequency nonreciprocities, close in magnitude to the amplitude of an alternating frequency bias. It is shown that in the case of a rectangular bias with periodic amplitude modulation, nonlinear distortions of the frequency response can be reduced by an order of magnitude. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Biexciton Condensation in Electron-Hole-Doped Hubbard Bilayers: A Sign-Problem-Free Quantum Monte Carlo Study

The bilayer Hubbard model with electron-hole doping is an ideal platform to study excitonic orders due to suppressed recombination via spatial separation of electrons and holes. However, suffering from the sign problem, previous quantum Monte Carlo studies could not arrive at an unequivocal conclusion regarding the presence of phases with clear signatures of excitonic condensation in bilayer Hubbard models. Here, we develop a determinant quantum Monte Carlo algorithm for the bilayer Hubbard model that is sign-problem-free for equal and opposite doping in the two layers and study excitonic order and charge and spin density modulations as a function of chemical potential difference between the two layers, on-site Coulomb repulsion, and interlayer interaction. In the intermediate coupling regime and in proximity to the SU(4)-symmetric point, we find a biexcitonic condensate phase at finite electron-hole doping, as well as a competing (π, π) charge density wave state. In this study, we extract the Berezinskii-Kosterlitz-Thouless transition temperature from superfluid density and a finite-size scaling analysis of the correlation functions and explain our results in terms of an effective biexcitonic hard-core boson model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Harmonic and Subharmonic RF Injection Locking of THz Metasurface Quantum-Cascade VECSEL

Harmonic and subharmonic RF injection locking is demonstrated in a terahertz (THz) quantum-cascade vertical-external-cavity surface-emitting laser (QC-VECSEL). By tuning the RF injection frequency around integer multiples and submultiples of the cavity round-trip frequency, different harmonic and subharmonic orders can be excited in the same device. Modulation-dependent behavior of the device has been studied with recorded lasing spectral broadening and locking bandwidths in each case. In particular, harmonic injection locking results in the observation of harmonic spectra with bandwidths over 200 GHz. A semiclassical Maxwell-density matrix formalism has been applied to interpret QC-VECSEL dynamics, which aligns well with experimental observations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

PCB-on-DBC GaN Power Module Design with High-Density Integration and Double-Sided Cooling

Lateral gallium nitride (GaN) high-electron-mobility transistors (HEMTs) present better electrical characteristics compared to silicon or silicon carbide devices such as high switching speed and low gate charge, but also present additional challenges on the module design. Here, this paper discusses a high-density GaN power module with double-sided cooling, low inductance, on-package decoupling capacitors, and integrated gate drivers. The GaN dies as well as the gate drive are sandwiched between the printed circuit board (PCB) and direct bonded copper (DBC) substrate to achieve compact loop and double-sided cooling effect. Design considerations and thermal performance are analyzed. A module assembly procedure is presented utilizing the layer-by-layer attachment process. Finally, a 2.7 cm x 1.8 cm half-bridge GaN power module is fabricated and tested, achieving a low power-loop inductance of 1.03 nH, and the overshoot voltage of the switching waveform is less than 5% under a 400-V/25-A double-pulse test. The thermal resistance is 0.32 K/W, verified by simulation and experimental results. The design and assembly process can be generalized and applied to high power applications to achieve high power density and high performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗