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DOE OSTI2026

Electronic Origin of Delicate Antiferromagnetism in Fe 𝑥 ⁢NbS 2

Among the family of intercalated transition-metal dichalcogenides (TMDs), Fe 𝑥 ⁢NbS 2 is found to possess unique current-induced resistive switching behaviors, tunable antiferromagnetic states, and a commensurate charge order, all of which are tied to a critical Fe doping of 𝑥 𝑐 = 1/3. However, the electronic origin of such extreme stoichiometry sensitivities remains unclear. Combining angle-resolved photoemission spectroscopy (ARPES) with density functional theory (DFT) calculations, we identify and characterize a dramatic eV-scale electronic restructuring that occurs across the 𝑥𝑐. Moment-carrying Fe 3⁢𝑑 𝑧 2 electrons manifest as narrow bands within 200 meV of the Fermi level, distinct from other transition metal intercalated TMD magnets. These states strongly hybridize with itinerant electrons in the TMD layer and rapidly lose coherence above 𝑥 𝑐 due to correlation-driven effects. This sudden quasiparticle decoherence collapses the Fe-Nb hybridization, which explicitly suppresses the out-of-plane effective Fe-Fe exchange interaction, driving the transformation of the magnetic ground state from an antiferromagnetic stripe phase to a zigzag phase. Furthermore, these observations resemble the exceptional electronic and magnetic sensitivity of strongly correlated systems, and demonstrate that quantifying orbital-specific hybridization via ARPES offers an alternative pathway to evaluate effective magnetic exchange in metallic magnets, complementing inelastic neutron and resonant x-ray scattering probes.

Angle-resolved photoemission spectroscopy↗

DOE OSTI2025

Kramers nodal lines in intercalated TaS 2 superconductors

Kramers degeneracy is one fundamental embodiment of the quantum mechanical nature of particles with half-integer spin under time reversal symmetry. Under the chiral and noncentrosymmetric achiral crystalline symmetries, Kramers degeneracy emerges respectively as topological quasiparticles of Weyl fermions and Kramers nodal lines (KNLs), anchoring the Berry phase-related physics of electrons. However, an experimental demonstration for ideal KNLs well isolated at the Fermi level is lacking. Here, we establish a class of noncentrosymmetric achiral intercalated transition metal dichalcogenide superconductors with large Ising-type spin-orbit coupling, represented by In x TaS 2 , to host an ideal KNL phase. We provide evidence from angle-resolved photoemission spectroscopy with spin resolution, angle-dependent quantum oscillation measurements, and ab-initio calculations. Our work not only provides a realistic platform for realizing and tuning KNLs in layered materials, but also paves the way for exploring the interplay between KNLs and superconductivity, as well as applications pertaining to spintronics, valleytronics, and nonlinear transport.

36 MATERIALS SCIENCE↗

NASA NTRS2015

Light-Curve Modelling Constraints on the Obliquities and Aspect Angles of the Young Fermi Pulsars

In more than four years of observation the Large Area Telescope on board the Fermi satellite has identified pulsed gamma-ray emission from more than 80 young or middle-aged pulsars, in most cases providing light curves with high statistics. Fitting the observed profiles with geometrical models can provide estimates of the magnetic obliquity alpha and of the line of sight angle zeta, yielding estimates of the radiation beaming factor and radiated luminosity. Using different gamma-ray emission geometries (Polar Cap, Slot Gap, Outer Gap, One Pole Caustic) and core plus cone geometries for the radio emission, we fit gamma-ray light curves for 76 young or middle-aged pulsars and we jointly fit their gamma-ray plus radio light curves when possible. We find that a joint radio plus gamma-ray fit strategy is important to obtain (alpha, zeta) estimates that can explain simultaneously detectable radio and gamma-ray emission: when the radio emission is available, the inclusion of the radio light curve in the fit leads to important changes in the (alpha, gamma) solutions. The most pronounced changes are observed for Outer Gap and One Pole Caustic models for which the gamma-ray only fit leads to underestimated alpha or zeta when the solution is found to the left or to the right of the main alpha-zeta plane diagonal respectively. The intermediate-to-high altitude magnetosphere models, Slot Gap, Outer Gap, and One pole Caustic, are favored in explaining the observations. We find no apparent evolution of α on a time scale of 106 years. For all emission geometries our derived gamma-ray beaming factors are generally less than one and do not significantly evolve with the spin-down power. A more pronounced beaming factor vs. spin-down power correlation is observed for Slot Gap model and radio-quiet pulsars and for the Outer Gap model and radio-loud pulsars. The beaming factor distributions exhibit a large dispersion that is less pronounced for the Slot Gap case and that decreases from radio-quiet to radio-loud solutions. For all models, the correlation between gamma-ray luminosity and spin-down power is consistent with a square root dependence. The gamma-ray luminosities obtained by using the beaming factors estimated in the framework of each model do not exceed the spin-down power. This suggests that assuming a beaming factor of one for all objects, as done in other studies, likely overestimates the real values. The data show a relation between the pulsar spectral characteristics and the width of the accelerator gap. The relation obtained in the case of the Slot Gap model is consistent with the theoretical prediction.

neutron aEuro" pulsars:↗

NASA NTRS2014

Constraints On the Emission Geometries and Spin Evolution Of Gamma-Ray Millisecond Pulsars

Millisecond pulsars (MSPs) are a growing class of gamma-ray emitters. Pulsed gamma-ray signals have been detected from more than 40 MSPs with the Fermi Large Area Telescope (LAT). The wider radio beams and more compact magnetospheres of MSPs enable studies of emission geometries over a broader range of phase space than non-recycled radio-loud gamma-ray pulsars. We have modeled the gamma-ray light curves of 40 LAT-detected MSPs using geometric emission models assuming a vacuum retarded-dipole magnetic field. We modeled the radio profiles using a single-altitude hollow-cone beam, with a core component when indicated by polarimetry; however, for MSPs with gamma-ray and radio light curve peaks occurring at nearly the same rotational phase, we assume that the radio emission is co-located with the gamma rays and caustic in nature. The best-fit parameters and confidence intervals are determined using amaximum likelihood technique.We divide the light curves into three model classes, with gamma-ray peaks trailing (Class I), aligned (Class II), or leading (Class III) the radio peaks. Outer gap and slot gap (two-pole caustic) models best fit roughly equal numbers of Class I and II, while Class III are exclusively fit with pair-starved polar cap models. Distinguishing between the model classes based on typical derived parameters is difficult. We explore the evolution of the magnetic inclination angle with period and spin-down power, finding possible correlations. While the presence of significant off-peak emission can often be used as a discriminator between outer gap and slot gap models, a hybrid model may be needed.

pulsars: general↗

DOE OSTI2025

Spin excitations and flat electronic bands in a Cr-based kagome superconductor

In the quest for topology- and correlation-driven quantum states, kagome lattice materials have garnered significant interest for their band structures, featuring flat bands (FBs) from the quantum destructive interference of the electronic wavefunction. Tuning an FB to the chemical potential could induce electronic instabilities and emergent orders. Despite extensive studies, direct evidence of FBs tuned to the chemical potential and their role in emergent orders in bulk materials remains lacking. Using angle-resolved photoemission spectroscopy, resonant inelastic X-ray scattering, and density functional theory, we show that the low-energy structure of the Cr-based kagome metal superconductor CsCr 3 Sb 5 is dominated by FBs at the Fermi level. We also observe low-energy magnetic excitations evolving across the low-temperature transition, largely consistent with the FB shift. Our results suggest that the low-temperature order contains a magnetic origin and that the kagome FBs may play a role in the emergence of this order.

electronic properties and materials↗

DOE OSTI2025

First Measurement of Missing Energy due to Nuclear Effects in Monoenergetic Neutrino Charged-Current Interactions

We present the first measurement of the missing energy due to nuclear effects in monoenergetic, muon neutrino charged-current interactions on carbon, originating from 𝐾 + → 𝜇 + ⁢𝜈 𝜇 decay at rest (𝐸 𝜈 𝜇 = 235.5 MeV), performed with the J-PARC Sterile Neutrino Search at the J-PARC Spallation Neutron Source liquid scintillator based experiment. Toward characterizing the neutrino interaction, ostensibly 𝜈 𝜇 ⁢𝑛 → 𝜇 − ⁢𝑝 or 𝜈 𝜇 ⁢ 12 C → 𝜇 − ⁢ 12 N, we define the missing energy as the energy transferred to the nucleus (𝜔) minus the kinetic energy of the outgoing proton(s), 𝐸 𝑚 ≡ 𝜔−∑ 𝑇 𝑝 , and relate this to visible energy in the detector, 𝐸 𝑚 = 𝐸 𝜈 𝜇 ⁡(235.5 MeV) − 𝑚 𝜇⁡ (105.7 MeV) + [𝑚 𝑛 − 𝑚 𝑝⁡ (1.3 MeV)] − 𝐸 vis . The missing energy, which is naively expected to be zero in the absence of nuclear effects (e.g., nucleon separation energy, Fermi momenta, and final-state interactions), is uniquely sensitive to many aspects of the interaction, and has previously been inaccessible with neutrinos. The shape-only, differential cross section measurement reported, based on a (77 ± 3)% pure double-coincidence kaon decay-at-rest signal (621 total events), provides detailed insight into neutrino-nucleus interactions, allowing even the nuclear orbital shell of the struck nucleon to be inferred. The measurement provides an important benchmark for models and event generators at hundreds of MeV neutrino energies, characterized by the difficult-to-model transition region between neutrino-nucleus and neutrino-nucleon scattering, and relevant for applications in nuclear physics, neutrino oscillation measurements, and Type-II supernova studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Band-Selective Spin-Charge Separation across the Charge Density Wave Transition in Quasi-1D NbSe 3

Non-Fermi liquid (non-FL) phase is a pivotal enigma in understanding intriguing quantum phases in strongly correlated systems, such as high-temperature superconductivity. Tomonaga-Luttinger liquid (TLL) theory, designed for one-dimensional (1D) systems, serves as one of the microscopic frameworks that elucidates non-FL behavior. Despite its theoretical concreteness, comprehensive experimental verification has remained incomplete. In particular, addressing the persistence of the TLL nature within ordered phases, such as charge density wave (CDW), has posed a significant challenge. We report the observation of TLL characteristics across the CDW transitions in a quasi-1D material NbSe 3 using angle-resolved photoemission spectroscopy. Spin-charge separation, a disentanglement of spin and charge degrees of freedom of electrons, is clearly observed within the band, accompanied by the suppression of spectral weight following a power-law behavior with anticipated temperature scaling. Surprisingly, the spin-charge separation persists even below the CDW transition temperatures, indicating the validity of the TLL nature in the CDW phase. In conclusion, our findings offer a unique opportunity to explore the interplay between the TLL and ordered phases, which could be connected to the interplay between non-FL and ordered phases in strongly correlated systems.

1-dimensional systems↗

DOE OSTI2025

Shake-Down Spectroscopy as State- and Site-Specific Probe of Ultrafast Chemical Dynamics

Tracking the multifarious ultrafast electronic and structural changes occurring in a molecule during a photochemical transformation is a challenging endeavor that benefits from recent experimental and computational progress in time-resolved techniques. Measurements of valence electronic states, which provide a global picture of the bonding structure of the molecule, and core electronic states, which provide insight into the local environment, traditionally require different approaches and are often studied separately. Here, we demonstrate that X-ray pulses from a seeded free-electron laser (FEL) enable the measurement of high-resolution, time-resolved X-ray photoelectron spectra (XPS) that capture weak satellite states resulting from shake-down processes in a valence-excited molecule. This approach effectively combines the advantages of both valence- and core-state investigations. We applied this method to investigate photoexcited CS2 molecules, where the role of internal conversion (IC) and intersystem crossing (ISC) in determining the predissociation dynamics is controversial. We present XPS spectra from photoexcited CS2, obtained at the FERMI FEL. High-resolution measurements, compared to the corresponding spectra obtained from accurate multireference quantum chemical calculations, reveal that shake-down satellite channels are highly sensitive to both valence electronic and geometric changes. Previous studies of the predissociation dynamics have led to uncertain assignments of the branching between singlet and triplet excited states. We derive a propensity rule that demonstrates the spin-selectivity of the shake-downs. This selectivity allows us to unequivocally assign contributions from the bright and dark singlet excited states, with populations tracked along the predissociation dynamic pathway.

Thompson, Henry J. [Univ. of Southampton (United K↗

DOE OSTI2026

Dichotomy of flat bands in the van der Waals ferromagnet Fe 5 ⁢GeTe 2

Quantum materials with bands of narrow bandwidth near the Fermi level represent a promising platform for exploring a diverse range of fascinating physical phenomena, as the high density of states within the small energy window often enables the emergence of many-body physics. On one hand, flat bands can arise from strong Coulomb interactions that localize atomic orbitals. On the other hand, quantum destructive interference can quench the electronic kinetic energy. Although both have a narrow bandwidth, the two types of flat bands should exhibit very distinct spectral properties arising from their distinctive origins. So far, the two types of flat bands have only been realized in very different material settings and chemical environments, preventing a direct comparison. Here, in this study, we report the observation of the two types of flat bands within the same material system—an above-room-temperature van der Waals ferromagnet, Fe 5−x GeTe 2 , distinguishable by a switchable iron site order. The contrasting nature of the flat bands is also identified by the remarkably distinctive temperature evolution of the spectral features, indicating that one arises from electron correlations in the Fe(1) site-disordered phase, while the other geometrical frustration in the Fe(1) site-ordered phase. Our results therefore provide a direct juxtaposition of the distinct formation mechanism of flat bands in quantum materials and an avenue for understanding the distinctive roles flat bands play in the presence of magnetism, topology, and lattice geometrical frustration, utilizing sublattice ordering as a key control parameter.

Wu, Han [Rice Univ., Houston, TX (United States)] ↗