Search NASA⌕ Search

SEARCH · Search NASA

Results for “emergent phenomena”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Valley phonons and exciton complexes in a monolayer semiconductor

The coupling between spin, charge, and lattice degrees of freedom plays an important role in a wide range of fundamental phenomena. Monolayer semiconducting transitional metal dichalcogenides have emerged as an outstanding platform for studying these coupling effects. Here, we report the observation of multiple valley phonons – phonons with momentum vectors pointing to the corners of the hexagonal Brillouin zone – and the resulting exciton complexes in the monolayer semiconductor WSe2. We find that these valley phonons lead to efficient intervalley scattering of quasi particles in both exciton formation and relaxation. This leads to a series of photoluminescence peaks as valley phonon replicas of dark trions. Using identified valley phonons, we also uncover an intervalley exciton near charge neutrality. Our work not only identifies a number of previously unknown 2D excitonic species, but also shows that monolayer WSe 2 is a prime candidate for studying interactions between spin, pseudospin, and zone-edge phonons.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Observation of Weyl fermions in a magnetic non-centrosymmetric crystal

The absence of inversion symmetry in non-centrosymmetric materials has a fundamental role in the emergence of a vast number of fascinating phenomena, like ferroelectricity, second harmonic generation, and Weyl fermions. The removal of time-reversal symmetry in such systems further extends the variety of observable magneto-electric and topological effects. Here we report the striking topological properties in the non-centrosymmetric spin-orbit magnet PrAlGe by combining spectroscopy and transport measurements. By photoemission spectroscopy below the Curie temperature, we observe topological Fermi arcs that correspond to projected topological charges of ±1 in the surface Brillouin zone. In the bulk, we observe the linear energy-dispersion of the Weyl fermions. We further observe a large anomalous Hall response in our magneto-transport measurements, which is understood to arise from diverging bulk Berry curvature fields associated with the Weyl band structure. These results establish a novel Weyl semimetal phase in magnetic non-centrosymmetric PrAlGe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Dynamic metal-linker bonds in metal–organic frameworks

Metal-linker bonds serve as the “glue” that binds metal ions to multitopic organic ligands in the porous materials known as metal–organic frameworks (MOFs). Despite ample evidence of bond lability in molecular and polymeric coordination compounds, the metal-linker bonds of MOFs were long assumed to be rigid and static. Given the importance of ligand fields in determining the behaviour of metal species, labile bonding in MOFs would help explain outstanding questions about MOF behaviour, while providing a design tool for controlling dynamic and stimuli-responsive optoelectronic, magnetic, catalytic, and mechanical phenomena. Here, in this work, we present emerging evidence that MOF metal-linker bonds exist in dynamic equilibria between weakly and tightly bond conformations, and that these equilibria respond to guest–host chemistry, drive phase change behavior, and exhibit size-dependence in MOF nanoparticles.

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

Dynamical Correlations and Order in Magic-Angle Twisted Bilayer Graphene

The interplay of dynamical correlations and electronic ordering is pivotal in shaping phase diagrams of correlated quantum materials. In magic-angle twisted bilayer graphene, transport, thermodynamic, and spectroscopic experiments pinpoint a competition between distinct low-energy states with and without electronic order, as well as between localized and delocalized charge carriers. In this study, we utilize dynamical mean-field theory on the topological heavy fermion model of twisted bilayer graphene to investigate the emergence of electronic correlations and long-range order in the absence of strain. We contrast moment formation, Kondo screening, and ordering on a temperature basis and explain the nature of emergent correlated states based on three central phenomena: (i) the formation of local spin and valley isospin moments around 100 K, (ii) the ordering of the local isospin moments around 10 K preempting Kondo screening, and (iii) a cascadic redistribution of charge between localized and delocalized electronic states upon doping. At integer fillings, we find that low-energy spectral weight is depleted in the symmetric phase, while we find insulating states with gaps enhanced by exchange coupling in the zero-strain ordered phases. Doping away from integer filling results in distinct metallic states: a “bad metal” above the ordering temperature, where scattering off the disordered local moments suppresses electronic coherence, and a “good metal” in the ordered states with coherence of quasiparticles facilitated by isospin order. This finding reveals coherence from order as the microscopic mechanism behind the Pomeranchuk effect observed experimentally by Rozen [] and by Saito []. Upon doping, there is a periodic charge reshuffling between localized and delocalized electronic orbitals leading to cascades of doping-induced Lifshitz transitions, local spectral weight redistributions, and periodic variations of the electronic compressibility ranging from nearly incompressible to negative. Our findings highlight the essential role of charge transfer, hybridization, and ordering in shaping the electronic excitations and thermodynamic properties in twisted bilayer graphene and provide a unified understanding of the most puzzling aspects of scanning tunneling spectroscopy, transport, and compressibility experiments. Published by the American Physical Society 2024

Physics↗
DOE OSTI2025

Studying Open Quantum Systems Relevant to Chemistry on a Trapped-Ion Quantum Simulator (Final Technical Report)

This project advances the trapped-ion quantum simulator as a versatile platform for studying open quantum system phenomena. We aim to contribute to the emerging quantum simulation toolkits and enable simulation of nanoscale energy processes. Trapped-ion platforms offer unique capabilities: their vibrational motion can be precisely manipulated, measured, and coherently coupled to auxiliary qubits. The vibrational mode can function both as a highly sensitive quantum sensor and a programmable environment bath. Using this platform, we achieved three major outcomes. First, we demonstrated using the vibrational mode as an ultrasensitive probe for testing fundamental physics, including possible nonlinear quantum mechanics effects. Second, we established that these modes can act as controllable baths in which tunable noise and loss can enhance or modify energy-transfer dynamics, providing the experimental preparation toward studying mechanisms relevant to chemical reactions and light-harvesting systems. Third, by introducing controllable nonlinear gain and loss, we showed theoretically how simulations using trapped ions can model vibrationally-assisted energy transport in a non‐Hermitian quantum system comprising a chromophore dimer weakly coupled to a vibrational mode. Exploring the non‐Hermitian dynamics of the whole system including vibrations, we found that energy transfer accompanied by absorption of phonons from a vibrational mode can be significantly enhanced near an exceptional point. This theoretical work on simulation of energy transfer processes in driven non‐Hermitian quantum systems revealed an interesting novel path to study open quantum systems dynamics under conditions of gain and loss. We then further explored the benefits of controllable gain and loss with an experimental realization of quantum analogs of nonlinear oscillators, namely, the van der Pol oscillator. Here we observed mutual synchronization mediated by collective dissipation between two oscillators. In parallel, we explored related quantum networking protocols using the same trapped-ion platform, developing fast, high-fidelity schemes for distributing entanglement. Together, these achievements show that trapped-ion vibrational modes provide a highly programmable and high-fidelity platform for investigating complex dissipative quantum behavior, while enabling new approaches to remote quantum sensing, energy science, and nonlinear quantum dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Toward nonthermal control of excited quantum materials: framework and investigations by ultrafast electron scattering and imaging

Quantum material systems upon applying ultrashort laser pulses provide a rich platform to access excited material phases and their transformations that are not entirely like their equilibrium counterparts. The addressability and potential controls of metastable or long-trapped out-of-equilibrium phases have motivated interests both for the purposes of understanding the nonequilibrium physics and advancing the quantum technologies. Thus far, the dynamical spectroscopic probes eminently focus on microscopic electronic and phonon responses. For characterizing the long-range dynamics, such as order parameter fields and fluctuation effects, the ultrafast scattering probes offer direct sensitivity. Bridging the connections between the microscopic dynamics and macroscopic responses is central toward establishing the nonequilibrium physics behind the light-induced phases. Here, we present a path toward such understanding by cross-examining the structure factors associated with different dynamical states obtained from ultrafast electron scattering, imaging, and modeling. We give the basic theoretical framework on describing the non-equilibrium scattering problems and briefly describe how such framework relates to the out-of-equilibrium phenomena. We give effective models outlining the emergences of nonthermal critical points, hidden phases, and non-equilibrium relaxational responses from vacuum-suspended rare-earth tritellurides, tantalum disulfides thin films, and vanadium dioxide nanocrystalline materials upon light excitations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Correlated interlayer exciton insulator in heterostructures of monolayer WSe 2 and moiré WS 2 /WSe 2

Moiré superlattices in van der Waals heterostructures have emerged as a powerful tool for engineering quantum phenomena. Here, in this work, we report the observation of a correlated interlayer exciton insulator in a double-layer heterostructure composed of a WSe 2 monolayer and a WS 2 /WSe 2 moiré bilayer that are separated by ultrathin hexagonal boron nitride. The moiré WS 2 /WSe 2 bilayer features a Mott insulator state when the density of holes is one per moiré lattice site. When electrons are added to the Mott insulator in the WS 2 /WSe 2 moiré bilayer and an equal number of holes are injected into the WSe 2 monolayer, a new interlayer exciton insulator emerges with the holes in the WSe 2 monolayer and the electrons in the doped Mott insulator bound together through interlayer Coulomb interactions. The interlayer exciton insulator is stable up to a critical hole density in the WSe 2 monolayer, beyond which the interlayer exciton dissociates. Our study highlights the opportunities for realizing quantum phases in double-layer moiré systems due to the interplay between the moiré flat band and strong interlayer electron interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Widely Tunable Berry Curvature in the Magnetic Semimetal Cr 1+ δ Te 2

Abstract Magnetic semimetals have increasingly emerged as lucrative platforms hosting spin‐based topological phenomena in real and momentum spaces. Cr 1+ δ Te 2 is a self‐intercalated magnetic transition metal dichalcogenide (TMD), which exhibits topological magnetism and tunable electron filling. While recent studies have explored real‐space Berry curvature effects, similar considerations of momentum‐space Berry curvature are lacking. Here, the electronic structure and transport properties of epitaxial Cr 1+ δ Te 2 thin films are systematically investigated over a range of doping, δ (0.33 – 0.71). Spectroscopic experiments reveal the presence of a characteristic semi‐metallic band region, which shows a rigid like energy shift with δ. Transport experiments show that the intrinsic component of the anomalous Hall effect (AHE) is sizable and undergoes a sign flip across δ. Finally, density functional theory calculations establish a link between the doping evolution of the band structure and AHE: the AHE sign flip is shown to emerge from the sign change of the Berry curvature, as the semi‐metallic band region crosses the Fermi energy. These findings underscore the increasing relevance of momentum‐space Berry curvature in magnetic TMDs and provide a unique platform for intertwining topological physics in real and momentum spaces.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tetrameric self-assembling of water-lean solvents enables carbamate anhydride-based CO2 capture chemistry

Abstract Carbon capture, utilization and storage is a key yet cost-intensive technology for the fight against climate change. Single-component water-lean solvents have emerged as promising materials for post-combustion CO 2 capture, but little is known regarding their mechanism of action. Here we present a combined experimental and modelling study of single-component water-lean solvents, and we find that CO 2 capture is accompanied by the self-assembly of reverse-micelle-like tetrameric clusters in solution. This spontaneous aggregation leads to stepwise cooperative capture phenomena with highly contrasting mechanistic and thermodynamic features. The emergence of well-defined supramolecular architectures displaying a hydrogen-bonded internal core, reminiscent of enzymatic active sites, enables the formation of CO 2 -containing molecular species such as carbamic acid, carbamic anhydride and alkoxy carbamic anhydrides. This system extends the scope of adducts and mechanisms observed during carbon capture. It opens the way to materials with a higher CO 2 storage capacity and provides a means for carbamates to potentially act as initiators for future oligomerization or polymerization of CO 2 .

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

Multi-scale physics of bipolar membranes in electrochemical processes

Bipolar membranes (BPMs) enable control of ion concentrations and fluxes in electrochemical cells suitable for a wide range of applications. Here, in this work, we present the multi-scale physics of BPMs in an electrochemical engineering context and articulate design principles to drive the development of advanced BPMs. The chemistry, structure, and physics of BPMs are illustrated and related to the thermodynamics, transport phenomena, and chemical kinetics that dictate ion and species fluxes and selectivity. These interactions give rise to emergent structure–property–performance relationships that yield design criteria for BPMs that achieve high permselectivity, durability, and voltaic efficiency. The resulting performance trade-offs for BPMs are presented in the context of emerging applications in energy conversion or storage, and environmental remediation. By connecting the fundamental physical phenomena in BPMs to device-level performance and engineering, we aim to facilitate the development of next-generation BPMs for sustainable electrochemical processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

In-situ irradiation of uranium carbide

Uranium carbide (UC) is a leading candidate fuel for Generation IV reactors due to its high uranium density and thermal conductivity. However, its irradiation performance—particularly gas bubble swelling and defect dynamics—remains poorly characterized. Using in-situ transmission electron microscopy (TEM), we irradiated UC with 300 keV Xe + and 1 MeV Kr 2+ ions at temperatures up to 900 °C to quantify swelling behavior and dislocation loop evolution. The swelling remained below 0.6 % across all temperatures, suggesting the dimensional stability of UC under irradiation at these temperatures. Dislocation loops grew faster in UC than in UO 2 or UN, correlating with its lower homologous temperature. Notably, nanograin structures emerged in thin regions of the lamellar, mirroring phenomena previously observed in UO 2 and ZrC. These results address critical knowledge gaps in the radiation tolerance of UC and provide insight into its suitability for advanced reactor systems.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Twisted moiré photonic crystal enabled optical vortex generation through bound states in the continuum

The twisted stacking of two layered crystals has led to the emerging moiré physics as well as intriguing chiral phenomena such as chiral phonon and photon generation. In this work, we identified and theoretically formulated a non-trivial twist-enabled coupling mechanism in twisted bilayer photonic crystal (TBPC), which connects the bound state in the continuum (BIC) mode to the free space through the twist-enabled channel. Moreover, the radiation from TBPC hosts an optical vortex in the far field with both odd and even topological orders. We quantitatively analyzed the twist-enabled coupling between the BIC mode and other non-local modes in the photonic crystals, giving rise to radiation carrying orbital angular momentum. The optical vortex generation is robust against geometric disturbance, making TBPC a promising platform for well-defined vortex generation. As a result, TBPCs not only provide a new approach to manipulating the angular momentum of photons, but may also enable novel applications in integrated optical information processing and optical tweezers. Our work broadens the field of moiré photonics and paves the way toward the novel application of moiré physics.

42 ENGINEERING↗
DOE OSTI2025

Moiré-controllable exciton localization and dynamics through spatially-modulated inter- and intralayer excitons in a MoSe 2 /WS 2 heterobilayer

Moiré heterobilayers exhibiting spatially varying exciton localization that can be precisely controlled through the twist angle have emerged as exciting platforms for studying complex quantum phenomena. Here, we study the exciton landscape in MoSe 2 /WS 2 heterobilayers through synergistic first-principles GW plus Bethe Salpeter equation (GW-BSE) calculations and complementary time- and angle-resolved photoemission spectroscopy (tr-ARPES). We find that the MoSe 2 /WS 2 heterobilayer has a type I band alignment at large twist angles. In contrast, at small twist angles, there exist simultaneous spatially modulated regions of local type I band alignment, hosting bright intralayer excitons, and local type II band alignment, hosting long-lived interlayer excitons, due to lattice reconstruction in different high-symmetry regions. In tr-ARPES this manifests in the observation of long-lived excitons with electron population in only MoSe 2 at large twist angles, while in samples with small twist angles, signals from two distinct long-lived exciton states with electron population in both layers are observed. Contrary to earlier studies, we find no excitonic hybridization near the low-energy absorption peaks in MoSe 2 /WS 2 , whose splitting can, instead, be explained by the lattice reconstruction.

Electronic properties and materials↗
DOE OSTI2021

Weyl, Dirac and high-fold chiral fermions in topological quantum matter

Quantum materials hosting Weyl fermions have opened a new era of research in condensed matter physics. First proposed in 1929 in the context of particle physics, Weyl fermions have yet to be observed as elementary particles. In 2015, Weyl fermions were detected as collective electronic excitations in the strong spin–orbit coupled material tantalum arsenide, TaAs. This discovery was followed by a flurry of experimental and theoretical explorations of Weyl phenomena in materials. Weyl materials naturally lend themselves to the exploration of the topological index associated with Weyl fermions and their divergent Berry curvature field, as well as the topological bulk–boundary correspondence, giving rise to protected conducting surface states. Here, we review the broader class of Weyl topological phenomena in materials, starting with the observation of emergent Weyl fermions in the bulk and Fermi arc states on the surface of the TaAs family of crystals by photoemission spectroscopy. We then discuss several exotic optical and magnetic responses observed in these materials, as well as progress in developing related chiral materials. We discuss the conceptual development of high-fold chiral fermions, which generalize Weyl fermions, and we review the observation of high-fold chiral fermion phases by taking the rhodium silicide, RhSi, family of crystals as a prime example. Lastly, we discuss recent advances in Weyl line phases in magnetic topological materials. With this Review, we aim to provide an introduction to the basic concepts underlying Weyl physics in condensed matter, and to representative materials and their electronic structures and topology as revealed by spectroscopic studies. Finally, we hope this work serves as a guide for future theoretical and experimental explorations of chiral fermions and related topological quantum systems with potentially enhanced functionalities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Magnetic imaging and statistical analysis of the metamagnetic phase transition of FeRh with electron spins in diamond

Magnetic imaging based on nitrogen-vacancy (NV) centers in diamond has emerged as a powerful tool for probing magnetic phenomena in fields ranging from biology to physics. A key strength of NV sensing is its local-probe nature, enabling high-resolution spatial images of magnetic stray fields emanating from a sample. However, this local character can also form a drawback for analyzing the global properties of a system, such as a phase transition temperature. Here, we address this challenge by using statistical analyses of magnetic-field maps to characterize the first-order temperature-driven metamagnetic phase transition from the antiferromagnetic to the ferromagnetic state in FeRh. After imaging the phase transition and identifying the regimes of nucleation, growth, and coalescence of ferromagnetic domains, we statistically characterize the spatial magnetic-field maps to extract the transition temperature and thermal hysteresis width. By analyzing the spatial correlations of the maps in relation to the magnetocrystalline anisotropy and external magnetic field, we detect a reorientation of domain walls across the phase transition. The employed statistical approach can be extended to the study of other magnetic phenomena with NV magnetometry or other sensing techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Light-induced shift current vortex crystals in moiré heterobilayers

Transition metal dichalcogenide (TMD) moiré superlattices provide an emerging platform to explore various light-induced phenomena. Recently, the discoveries of novel moiré excitons have attracted great interest. The nonlinear optical responses of these systems are however still underexplored. Here, we report investigation of light-induced shift currents (a second-order response generating DC current from optical illumination) in the WSe 2 /WS 2 moiré superlattice. We identify a striking phenomenon of the formation of shift current vortex crystals—i.e., two-dimensional periodic arrays of moiré-scale current vortices and associated magnetic fields with remarkable intensity under laboratory laser setup. Furthermore, we demonstrate high optical tunability of these current vortices—their location, shape, chirality, and magnitude can be tuned by the frequency, polarization, and intensity of the incident light. Electron-hole interactions (excitonic effects) are found to play a crucial role in the generation and nature of the shift current intensity and distribution. Our findings provide a promising all-optical control route to manipulate nanoscale shift current density distributions and magnetic field patterns, as well as shed light on nonlinear optical responses in moiré quantum matter and their possible applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Boundary conditions manipulation of polar vortex domains in BiFeO 3 membranes via phase-field simulations

Polar vortex domains have recently become an emergent research field due to the abundant physical phenomena and potential applications in high-density memories. Here, we explore the mechanisms of creating polar vortex domains in the BiFeO3 (BFO) membranes subjected to different boundary conditions using phase-field simulations. A major difference is that the vortex in membrane can be stabilized even under short-circuit electrical boundary conditions compared to vortex in other systems, such as thin film or superlattice. We found that (a) the formation of polar vortex domains at the membrane interior under bending is mainly driven by the reduction of elastic energy under short-circuit boundary condition, and the vortex chirality (namely, clockwise and counterclockwise) could be identified by n-shape and u-shape bending; (b) in the unbent open-circuit BFO membrane case, exotic trapezoid-shaped vortex nanodomains form at the terminations of 109 degrees domain walls (DWs) and partially charged 71 degrees DWs, which is driven by the local depolarization field and the interplay among electrostatic, elastic, and gradient and Landau energies. We also examine Kittel's law by establishing the dependence of vortex periods on the membrane thickness. Furthermore, these results give further understanding of the effect of boundary conditions on the formation of polar vortex domains, guiding experimental designs of vortex-based high-density memories.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Intrinsic Berry curvature driven anomalous Nernst thermopower in the semimetallic Heusler alloy CoFeVSb

Understanding of spin-heat coupling mechanisms and magnetothermoelectric phenomena, including the anomalous Nernst effect (ANE), in emergent quaternary Heusler alloys is of practical importance for applications in thermal management and energy harvesting. Here, we demonstrate an intrinsic Berry curvature mediated anomalous Nernst thermopower in CoFeVSb, which orders magnetically at high temperature ( T C ≈ 850 K ) with a large saturation magnetization of ≈ 2.2 μ B / f . u . at room temperature. We show that the electron-electron elastic and electron-magnon inelastic scattering dominate longitudinal electrical transport at low temperatures ( T ≤ 50 K ), whereas the electron-phonon and electron-magnon scatterings govern it at higher T . The longitudinal thermopower is resulted mainly from the diffusive contribution with a very large longitudinal Seebeck coefficient ( 42 μ V K - 1 at 395 K). The value of the anomalous Nernst coefficient ( S ANE ) for CoFeVSb at room temperature is 0.039 μ V K - 1 which is higher than the compressively strained SrRu O 3 film ( 0.03 μ V K - 1 ) as well as the spin gapless semiconductor CoFeCrGa ( 0.018 μ V K - 1 ). On lowering T , both the ordinary Nernst coefficient and carrier mobility increase but an opposite trend is found for S ANE . Our ab initio simulations reveal the topological semimetallic nature of CoFeVSb with a pair of Weyl points. These Weyl crossings result in a significant contribution to the Berry curvature, leading to an intrinsic anomalous Hall conductivity ( σ x y AHE ) of ≈ 85 S/cm, which matches well with experiment (77 S/cm at 2 K). Our experimental findings and ab initio calculations support the dominance of the intrinsic Berry curvature in the observed ANE. The ratio of σ x y AHE to the transverse anomalous thermoelectric conductivity ( α x y ANE ) shows an increasing trend with T attaining a sizable fraction of k B e ( ≈ 0.35 k B e ) at room temperature.

36 MATERIALS SCIENCE↗