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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 865 records · Page 48

Room-temperature sub-100 nm Néel-type skyrmions in non-stoichiometric van der Waals ferromagnet Fe 3-$x$ GaTe 2 with ultrafast laser writability

Realizing room-temperature magnetic skyrmions in two-dimensional van der Waals ferromagnets offers unparalleled prospects for future spintronic applications. However, due to the intrinsic spin fluctuations that suppress atomic long-range magnetic order and the inherent inversion crystal symmetry that excludes the presence of the Dzyaloshinskii-Moriya interaction, achieving room-temperature skyrmions in 2D magnets remains a formidable challenge. In this study, we target room-temperature 2D magnet Fe 3 GaTe 2 and unveil that the introduction of iron-deficient into this compound enables spatial inversion symmetry breaking, thus inducing a significant Dzyaloshinskii-Moriya interaction that brings about room-temperature Néel-type skyrmions with unprecedentedly small size. To further enhance the practical applications of this finding, we employ a homemade in-situ optical Lorentz transmission electron microscopy to demonstrate ultrafast writing of skyrmions in Fe 3-$x$ GaTe 2 using a single femtosecond laser pulse. Our results manifest the Fe 3-$x$ GaTe 2 as a promising building block for realizing skyrmion-based magneto-optical functionalities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Enhancing detection of topological order by local error correction

The exploration of topologically-ordered states of matter is a long-standing goal at the interface of several subfields of the physical sciences. Such states feature intriguing physical properties such as long-range entanglement, emergent gauge fields and non-local correlations, and can aid in realization of scalable fault-tolerant quantum computation. However, these same features also make creation, detection, and characterization of topologically-ordered states particularly challenging. Motivated by recent experimental demonstrations, we introduce a paradigm for quantifying topological states—locally error-corrected decoration (LED)—by combining methods of error correction with ideas of renormalization-group flow. Our approach allows for efficient and robust identification of topological order, and is applicable in the presence of incoherent noise sources, making it particularly suitable for realistic experiments. We demonstrate the power of LED using numerical simulations of the toric code under a variety of perturbations. We subsequently apply it to an experimental realization, providing new insights into a quantum spin liquid created on a Rydberg-atom simulator. Finally, we extend LED to generic topological phases, including those with non-abelian order.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Multi-site integrated optical addressing of trapped ions

Abstract One of the most effective ways to advance the performance of quantum computers and quantum sensors is to increase the number of qubits or quantum resources in the system. A major technical challenge that must be solved to realize this goal for trapped-ion systems is scaling the delivery of optical signals to many individual ions. In this paper we demonstrate an approach employing waveguides and multi-mode interferometer splitters to optically address multiple 171 Yb + ions in a surface trap by delivering all wavelengths required for full qubit control. Measurements of hyperfine spectra and Rabi flopping were performed on the E2 clock transition, using integrated waveguides for delivering the light needed for Doppler cooling, state preparation, coherent operations, and detection. We describe the use of splitters to address multiple ions using a single optical input per wavelength and use them to demonstrate simultaneous Rabi flopping on two different transitions occurring at distinct trap sites. This work represents an important step towards the realization of scalable integrated photonics for atomic clocks and trapped-ion quantum information systems.

74 ATOMIC AND MOLECULAR PHYSICS↗

Emergence of flat bands and ferromagnetic fluctuations via orbital-selective electron correlations in Mn-based kagome metal

Kagome lattice has been actively studied for the possible realization of frustration-induced two-dimensional flat bands and a number of correlation-induced phases. Currently, the search for kagome systems with a nearly dispersionless flat band close to the Fermi level is ongoing. Here, by combining theoretical and experimental tools, we present Sc 3 Mn 3 Al 7 Si 5 as a novel realization of correlation-induced almost-flat bands in the kagome lattice in the vicinity of the Fermi level. Our magnetic susceptibility, 27 Al nuclear magnetic resonance, transport, and optical conductivity measurements provide signatures of a correlated metallic phase with tantalizing ferromagnetic instability. Our dynamical mean-field calculations suggest that such ferromagnetic instability observed originates from the formation of nearly flat dispersions close to the Fermi level, where electron correlations induce strong orbital-selective renormalization and manifestation of the kagome-frustrated bands. In addition, a significant negative magnetoresistance signal is observed, which can be attributed to the suppression of flat-band-induced ferromagnetic fluctuation, which further supports the formation of flat bands in this compound. These findings broaden a new prospect to harness correlated topological phases via multiorbital correlations in 3d-based kagome systems.

36 MATERIALS SCIENCE↗

Dynamic gain and frequency comb formation in exceptional-point lasers

Abstract Exceptional points (EPs)—singularities in the parameter space of non-Hermitian systems where two nearby eigenmodes coalesce—feature unique properties with applications such as sensitivity enhancement and chiral emission. Existing realizations of EP lasers operate with static populations in the gain medium. By analyzing the full-wave Maxwell–Bloch equations, here we show that in a laser operating sufficiently close to an EP, the nonlinear gain will spontaneously induce a multi-spectral multi-modal instability above a pump threshold, which initiates an oscillating population inversion and generates a frequency comb. The efficiency of comb generation is enhanced by both the spectral degeneracy and the spatial coalescence of modes near an EP. Such an “EP comb” has a widely tunable repetition rate, self-starts without external modulators or a continuous-wave pump, and can be realized with an ultra-compact footprint. We develop an exact solution of the Maxwell–Bloch equations with an oscillating inversion, describing all spatiotemporal properties of the EP comb as a limit cycle. We numerically illustrate this phenomenon in a 5-μm-long gain-loss coupled AlGaAs cavity and adjust the EP comb repetition rate from 20 to 27 GHz. This work provides a rigorous spatiotemporal description of the rich laser behaviors that arise from the interplay between the non-Hermiticity, nonlinearity, and dynamics of a gain medium.

36 MATERIALS SCIENCE↗

Magnetic skyrmionic structures with variable topological charges in engineered Dzyaloshinskii-Moriya interaction systems

Magnetic skyrmionic structures, including magnetic skyrmions and antiskyrmions, are characterized by swirling spin textures with non-trivial topologies. They are featured with specific topological charges, Q , which are of crucial importance in determining their topological properties. Owing to the invariance of the chiral nature, it is generally believed that Q is conserved in a given magnetic skyrmionic structure and is hard to alter. Here, we experimentally realize the control of Q of magnetic skyrmionic structures at room temperature in a Dzyaloshinskii-Moriya interaction (DMI) platform with spatially alternating signs. Depending on how many times it crosses the interfaces between DMI regions with opposite signs, the magnetic skyrmionic structures possess different Q . Modifying the DMI energy landscape through chemisorbed oxygen, a magnetic topological transition is realized. This creation and manipulation of magnetic skyrmionic structures with controllable Q , in particular the DMI-stabilized thin-film antiskyrmions and high- Q skyrmionic structures, enables a new degree of freedom to control their dynamics via a novel DMI confinement effect. Our findings open up an unexplored avenue on various topological magnetic skyrmionic structures and their potential applications.

magnetic properties and materials↗

Amplified response of cavity-coupled quantum-critical systems

A quantum critical point develops when matter undergoes a continuous transformation between distinct ground states at absolute zero. It hosts pronounced quantum fluctuations, which render the system highly susceptible to external perturbations. While light-matter coupling has rapidly moved forward as a means to probe and control quantum materials, the capacity of quantum critical fluctuations in the photon-mediated responses has been largely unexplored. Here we advance the notion that directly coupling a quantum critical mode to a quantized cavity field dramatically facilitates the realization of the elusive superradiant phase transition in equilibrium, circumventing at once the key obstacles that have prevented its attainment in spite of decades of pursuit. The superradiant phase transition develops far below the ultrastrong regime of light-matter couplings, and the transition is accompanied by the light-matter hybrid system showing strongly enhanced intrinsic squeezing and amplified quantum Fisher information. We also identify candidate cavity quantum materials platforms for validating the proposed effect. Our findings suggest a general principle by which quantum criticality amplifies the response to cavity photons. They also demonstrate that cavity coupling accesses the elevated quantum entanglement of the underlying matter at quantum criticality, thereby pointing to a pathway towards realizing the potential of highly collective quantum materials to expand the capacities of quantum information science.

Sur, Shouvik [Rice Univ., Houston, TX (United Stat↗

Understanding the metal-to-insulator transition in La1−xSrxCoO3−δ and its applications for neuromorphic computing

Abstract Transition metal oxides that exhibit a metal-to-insulator transition (MIT) as a function of oxygen vacancy concentration are promising systems to realize energy-efficient platforms for neuromorphic computing. However, the current lack of understanding of the microscopic mechanism driving the MIT hinders the realization of effective and stable devices. Here we investigate defective cobaltites and we unravel the structural, electronic, and magnetic changes responsible for the MIT when oxygen vacancies are introduced in the material. We show that, contrary to accepted views, cooperative structural distortions instead of local bonding changes are responsible for the MIT, and we describe the subtle interdependence of structural and magnetic transitions. Finally, we present a model, based on first principles, to predict the required electric bias to drive the transition, showing good agreement with available measurements and providing a paradigm to establish design rules for low-energy cost devices.

36 MATERIALS SCIENCE↗

Prediction of intrinsic topological superconductivity in Mn-doped GeTe monolayer from first-principles

The recent discovery of topological superconductors (TSCs) has sparked enormous interest. The realization of TSC requires a delicate tuning of multiple microscopic parameters, which remains a great challenge. Here, we develop a first-principles approach to quantify realistic conditions of TSC by solving self-consistently Bogoliubov-de Gennes equation based on a Wannier function construction of band structure, in presence of Rashba spin-orbit coupling, Zeeman splitting and electron-phonon coupling. We further demonstrate the power of this method by predicting the Mn-doped GeTe (Ge 1- x Mn x Te) monolayer—a well-known dilute magnetic semiconductor showing superconductivity under hole doping—to be a Class D TSC with Chern number of -1 and chiral Majorana edge modes. By constructing a first-principles phase diagram in the parameter space of temperature and Mn concentration, we propose the TSC phase can be induced at a lower-limit transition temperature of ~40 mK and the Mn concentration of x ~0.015%. Our approach can be generally applied to TSCs with a phonon-mediated pairing, providing useful guidance for future experiments.

Chemistry↗

Finite-size correction for slab supercell calculations of materials with spontaneous polarization

Abstract The repeated slab approach has become a de facto standard to accurately describe surface properties of materials by density functional theory calculations with periodic boundary conditions. For materials exhibiting spontaneous polarization, we show that the conventional scheme of passivation with pseudo hydrogen is unable to realize a charge-neutral surface. The presence of a net surface charge induces via Gauss’s law a macroscopic electric field through the slab and results in poor size convergence with respect to the thickness of the slab. We propose a modified passivation method that accounts for the effect of spontaneous polarization, describes the correct bulk limits and boosts convergence with respect to slab thickness. The robustness, reliability, and superior convergence of energetics and electronic structure achieved by the proposed method are demonstrated using the example of polar ZnO surfaces.

Chemistry↗

Closed-loop optimization of fast trapped-ion shuttling with sub-quanta excitation

Shuttling ions at high speed and with low motional excitation is essential for realizing fast and high-fidelity algorithms in many trapped-ion-based quantum computing architectures. Achieving such performance is challenging due to the sensitivity of an ion to electric fields and the unknown and imperfect environmental and control variables that create them. Here we implement a closed-loop optimization of the voltage waveforms that control the trajectory and axial frequency of an ion during transport in order to minimize the final motional excitation. The resulting waveforms realize fast round-trip transport of a trapped ion across multiple electrodes at speeds of 0.5 electrodes per microsecond (35 m∙s -1 for a one-way transport of 210 μm in 6 s) with a maximum of 0.36 ± 0.08 mean quanta gain. This sub-quanta gain is independent of the phase of the secular motion at the distal location, obviating the need for an electric field impulse or time delay to eliminate the coherent motion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Topological superconductivity in skyrmion lattices

Atomic manipulation and interface engineering techniques have provided an intriguing approach to custom-designing topological superconductors and the ensuing Majorana zero modes, representing a paradigm for the realization of topological quantum computing and topology-based devices. Magnet-superconductor hybrid (MSH) systems have proven to be experimentally suitable to engineer topological superconductivity through the control of both the complex structure of its magnetic layer and the interface properties of the superconducting surface. Here, we demonstrate that two-dimensional MSH systems containing a magnetic skyrmion lattice provide an unprecedented ability to control the emergence of topological phases. By changing the skyrmion radius, which can be achieved experimentally through an external magnetic field, one can tune between different topological superconducting phases, allowing one to explore their unique properties and the transitions between them. In these MSH systems, Josephson scanning tunneling spectroscopy spatially visualizes one of the most crucial aspects underlying the emergence of topological superconductivity, the spatial structure of the induced spin–triplet correlations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6

Abstract A member of the RMn 6 Sn 6 rare-earth family materials, TbMn 6 Sn 6 , recently showed experimental signatures of the realization of a quantum-limit Chern magnet. In this work, we use quantum Monte Carlo (QMC) and density functional theory with Hubbard U (DFT + U ) calculations to examine the electronic structure of TbMn 6 Sn 6 . To do so, we optimize accurate, correlation-consistent pseudopotentials for Tb and Sn using coupled-cluster and configuration–interaction (CI) methods. We find that DFT + U and single-reference QMC calculations suffer from the same overestimation of the magnetic moments as meta-GGA and hybrid density functional approximations. Our findings point to the need for improved orbitals/wavefunctions for this class of materials, such as natural orbitals from CI, or for the inclusion of multi-reference effects that capture the static correlations for an accurate prediction of magnetic properties. DFT + U with Mn magnetic moments adjusted to the experiment predict the Dirac crossing in bulk to be close to the Fermi level, within ~120 meV, in agreement with the experiments. Our non-stoichiometric slab calculations show that the Dirac crossing approaches even closer to the Fermi level, suggesting the possible realization of Chern magnetism in this limit.

36 MATERIALS SCIENCE↗

Molecular spins for quantum computation

Spins in solids or in molecules possess discrete energy levels, and the associated quantum states can be tuned and coherently manipulated by means of external electromagnetic fields. Spins therefore provide one of the simplest platforms to encode a quantum bit (qubit), the elementary unit of future quantum computers. Notably, performing any useful computation demands much more than realizing a robust qubit—one also needs a large number of qubits and a reliable manner with which to integrate them into a complex circuitry that can store and process information and implement quantum algorithms. This ‘scalability’ is arguably one of the challenges for which a chemistry-based bottom-up approach is best-suited. Molecules, being much more versatile than atoms, and yet microscopic, are the quantum objects with the highest capacity to form non-trivial ordered states at the nanoscale and to be replicated in large numbers using chemical tools.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultralight and fire-extinguishing current collectors for high-energy and high-safety lithium-ion batteries

Inactive components and safety hazards are two critical challenges in realizing high-energy lithium-ion batteries. Metal foil current collectors with high density are typically an integrated part of lithium-ion batteries yet deliver no capacity. Meanwhile, high-energy batteries can entail increased fire safety issues. Here we report a composite current collector design that simultaneously minimizes the ‘dead weight’ within the cell and improves fire safety. An ultralight polyimide-based current collector (9 μm thick, specific mass 1.54 mg cm-2) is prepared by sandwiching a polyimide embedded with triphenyl phosphate flame retardant between two superthin Cu layers (~500 nm). Compared to lithium-ion batteries assembled with the thinnest commercial metal foil current collectors (~6 µm), batteries equipped with our composite current collectors can realize a 16-26% improvement in specific energy and rapidly self-extinguish fires under extreme conditions such as short circuits and thermal runaway.

25 ENERGY STORAGE↗

Bandgap tuning of two-dimensional materials by sphere diameter engineering

Developing a precise and reproducible bandgap tuning method that enables tailored design of materials is of crucial importance for optoelectronic devices. Towards this end, we report a sphere diameter engineering (SDE) technique to manipulate the bandgap of two-dimensional (2D) materials. A one-to-one correspondence with an ideal linear working curve is established between the bandgap of MoS 2 and the sphere diameter in a continuous range as large as 360 meV. Fully uniform bandgap tuning of all the as-grown MoS 2 crystals is realized due to the isotropic characteristic of the sphere. More intriguingly, both a decrease and an increase of the bandgap can be achieved by constructing a positive or negative curvature. By fusing individual spheres in the melted state, post-synthesis bandgap adjustment of the supported 2D materials can be realized. In conclusion, this SDE technique, showing good precision, uniformity and reproducibility with high efficiency, may further accelerate the potential applications of 2D materials.

36 MATERIALS SCIENCE↗

Effect of crystallite geometries on electrochemical performance of porous intercalation electrodes by multiscale operando investigation

Lithium-ion batteries are yet to realize their full promise because of challenges in the design and construction of electrode architectures that allow for their entire interior volumes to be reversibly accessible for ion storage. Electrodes constructed from the same material and with the same specifications, which differ only in terms of dimensions and geometries of the constituent particles, can show surprising differences in polarization, stress accumulation and capacity fade. Here, using operando synchrotron X-ray diffraction and energy dispersive X-ray diffraction (EDXRD), we probe the mechanistic origins of the remarkable particle geometry-dependent modification of lithiation-induced phase transformations in V2O5 as a model phase-transforming cathode. A pronounced modulation of phase coexistence regimes is observed as a function of particle geometry. Specifically, a metastable phase is stabilized for nanometre-sized spherical V2O5 particles, to circumvent the formation of large misfit strains. Spatially resolved EDXRD measurements demonstrate that particle geometries strongly modify the tortuosity of the porous cathode architecture. Greater ion-transport limitations in electrode architectures comprising micrometre-sized platelets result in considerable lithiation heterogeneities across the thickness of the electrode. These insights establish particle geometry-dependent modification of metastable phase regimes and electrode tortuosity as key design principles for realizing the promise of intercalation cathodes. Designing electrode architectures for Li-ion batteries that can be reversibly accessible for ion storage can be challenging. Using operando techniques the mechanistic origin of lithiation-induced phase transformations in a V2O5 model cathode is now clarified.

Luo, Yuting↗

Coupling between magnetic order and charge transport in a two-dimensional magnetic semiconductor

Semiconductors, featuring tunable electrical transport, and magnets, featuring tunable spin configurations, form the basis of many information technologies. A long-standing challenge has been to realize materials that integrate and connect these two distinct properties. Two-dimensional (2D) materials offer a platform to realize this concept, but known 2D magnetic semiconductors are electrically insulating in their magnetic phase. In this work, we demonstrate tunable electron transport within the magnetic phase of the 2D semiconductor CrSBr and reveal strong coupling between its magnetic order and charge transport. This provides an opportunity to characterize the layer-dependent magnetic order of CrSBr down to the monolayer via magnetotransport. Exploiting the sensitivity of magnetoresistance to magnetic order, we uncover a second regime characterized by coupling between charge carriers and magnetic defects. The magnetoresistance within this regime can be dynamically and reversibly tuned by varying the carrier concentration using an electrostatic gate, providing a mechanism for controlling charge transport in 2D magnets.

36 MATERIALS SCIENCE↗