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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Quantum calculations of the cavity shift in electron magnetic moment measurements

The measurement of the anomalous electron magnetic moment g – 2 through quantum transitions of a single trapped electron is the most stringent test of quantum field theory. These experiments are now so precise that they must account for the effects of the cavity containing the electron. Classical calculations of this “cavity shift” must subtract the electron’s divergent self-field, and thus require knowledge of the exact Green’s function for the cavity’s electromagnetic field. We perform the first fully quantum calculation of the cavity shift in a closed cavity, which instead involves subtracting linearly divergent cavity mode sums and integrals. Using contour integration methods, we find perfect agreement with existing classical results for both spherical and cylindrical cavities, justifying their current use. Moreover, our mode-based results can be naturally generalized to account for systematic effects, necessary to push future measurements to the next order of magnitude in precision.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Quantum Criticality of Antiferromagnetism and Superconductivity with Relativity

We study a quantum phase transition from a massless to massive Dirac fermion phase in a new two-dimensional bipartite lattice model of electrons that is amenable to sign-free quantum Monte Carlo simulations. Importantly, interactions in our model are not only invariant under SU(2) symmetries of spin and charge like the Hubbard model, but they also preserve an Ising-like electron spin-charge flip symmetry. From unbiased fermion bag Monte Carlo simulations with up to 2304 sites, we show that the massive fermion phase spontaneously breaks this Ising symmetry, picking either antiferromagnetism or superconductivity, and that the transition at which both orders are simultaneously quantum critical belongs to a new “chiral spin-charge symmetric” universality class. We explain our observations using effective potential and renormalization group calculations within the framework of a continuum field theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Tailoring magnetization reversal of a single-domain bar nanomagnet via its end geometry

Nanoscale single-domain bar magnets are building blocks for a variety of fundamental and applied mesoscopic magnetic systems, such as artificial spin ices, magnetic shape-morphing microbots, and magnetic majority logic gates. The magnetization reversal switching field of the bar nanomagnets is a crucial parameter that determines the physical properties and functionalities of their constituted artificial systems. Previous methods on tuning the magnetization reversal switching field of a bar nanomagnet usually relied on modifying its aspect ratio, such as its length, width, and/or thickness. Here, we show that the switching field of a bar nanomagnet saturates when extending its length beyond a certain value, preventing further tailoring of the magnetization reversal via aspect ratios. We showcase a highly tunable switching field of a bar nanomagnet by tailoring its end geometry without altering its size. This provides an easy method to control the magnetization reversal of a single-domain bar nanomagnet. It would enable new research and/or applications, such as designing artificial spin ices with additional tuning parameters, engineering magnetic microbots with more flexibility, and developing magnetic quantum-dot cellular automata systems for low power computing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Quantum-limit phenomena and band structure in the magnetic topological semimetal EuZn 2 As 2

The interplay between magnetism and electronic topology in the quantum limit is a forefront subject of condensed matter physics. Here, we show the electronic and magnetic properties of layered antiferromagnet EuZn 2 As 2 in pulsed magnetic fields up to 60 T and temperatures down to 0.6 K. By analyzing the quantum oscillations observed in the magnetoresistance (MR) and proximity detector oscillator (PDO) frequency, we find that (1) the oscillation frequency F = 46 ± 6 T for H // c and 42 ± 2 T for H // ab; (2) the corresponding Berry phase is close to π for H // c, implying a nontrivial topology; and (3) the large linear MR occurs beyond the first Landau level, without any sign of saturation. From these observations, we conclude that the linear MR can be understood by considering diffusing cyclotron centers due to compressed Landau wavefunction, an emergent behavior in the quantum limit.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Path integral approach to quantum anomalies in interacting models

The prediction and subsequent discovery of topological semimetal phases of matter in solid state systems has instigated a surge of activity investigating the exotic properties of these unusual materials. Among these are transport signatures which can be attributed to the chiral anomaly; the breaking of classical chiral symmetry in a quantum theory. This remarkable quantum phenomenon, first discovered in the context of particle physics has now found new life in condensed-matter physics, connecting topological quantum matter and band theory with effective field theoretic models. In this paper we investigate the interplay between interactions and the chiral anomaly in field theories inspired by semimetals using Fujikawa's path integral method. Starting from models in one spatial dimension we discuss how the presence of interactions can affect the consequences of the chiral anomaly leading to renormalization of excitations and their transport properties. This is then generalized to the three-dimensional case where we show that the anomalous response of the system, namely, the chiral magnetic and quantum Hall effects, are modified by the presence of interactions. These properties are investigated further through the identification of anomalous modes which exist within interacting Weyl semimetals. These massive excitations are nonperturbative in nature and are a direct consequence of the chiral anomaly. The effects of interactions on mixed axial-gravitational anomalies are then investigated and the conditions required for interaction effects to be observed are discussed.

Anomalies↗
DOE OSTI2024

Emergence of the isotropic Kitaev honeycomb lattice $α$–RuCl 3 and its magnetic properties

Here, we present a comprehensive investigation of the crystal and magnetic structures of the van der Waals antiferromagnet $α$–RuCl 3 using single crystal x-ray and neutron diffraction. The crystal structure at room temperature is a monoclinic (C2/m). However, with decreasing temperature, a remarkable first-order structural phase transition is observed, leading to the emergence of a rhombohedral ($R\bar3$) structure characterized by three-fold rotational symmetry forming an isotropic honeycomb lattice. On further cooling, a zigzag-type antiferromagnetic order develops below $T_{\textrm{N}} = 6\sim6.6$ K. The critical exponent of the magnetic order parameter was determined to be $\beta = 0.11(1)$, which is close to the two-dimensional Ising model. Additionally, the angular dependence of the magnetic critical field of the zigzag antiferromagnetic order for the polarized ferromagnetic phase reveals a six-fold rotational symmetry within the ab–plane. These findings reflect the symmetry associated with the Ising-like bond-dependent Kitaev spin interactions and underscore the universality of the Kitaev interaction-dominated antiferromagnetic system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Understanding the Electronic Behavior of f-Element Intermetallics

Due to their partially filled f-orbitals, lanthanide and actinide intermetallic materials exhibit intriguing electronic, structural, and magnetic properties. These materials provide a unique platform to explore exotic magnetic and quantum phenomena that arise from their strongly correlated f-electrons, offering insights into f-electron behavior. Incorporating light elements such as boron and carbon can significantly impact the electronic, chemical, and physical properties of these materials, with varying influence between lanthanides and actinides due to the more localized f-electrons in lanthanides. In this work, lanthanide-based intermetallic single crystals containing light atoms were synthesized using the molten metal flux growth method. In this method, one or more low-melting metals such as aluminum, gallium, tin, and bismuth are used in excess as the reaction medium. This solution-state approach allows for lower reaction temperatures compared to solid-state reactions and enables the isolation of kinetic products rather than thermodynamically stable compounds. The synthesized crystals were analyzed using an extensive array of analytical and computational characterization techniques, including single crystal X-ray diffraction, scanning electron microscopy, energy-dispersive spectroscopy, magnetization measurements, and density functional theory calculations. These analyses provided detailed insights into the structural and magnetic properties of the synthesized materials.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2026

Magnetic order and excitations in Ce 3 TiBi 5 and Ce 3 ZrBi 5

The R 3 MBi 5 rare-earth intermetallics (R = rare earth, M = Ti, Zr, Sc) provide a versatile platform to explore how Kondo hybridization, Ruderman–Kittel–Kasuya–Yosida (RKKY) exchange, magnetic frustration, and broken inversion symmetry may cooperate to generate unusual magnetic behavior. We present a comprehensive neutron scattering investigation of the magnetic structure, crystal electric field (CEF), and low-energy excitations in the locally noncentrosymmetric Kondo-lattice compounds Ce 3 TiBi 5 and Ce 3 ZrBi 5 . Powder and single-crystal neutron diffraction reveals incommensurate cycloidal antiferromagnetic order in Ce 3 TiBi 5 with propagation vector k = (0, 0, 0.388) and a reduced ordered moment of m = 0.53(3)μ B . Ce 3 ZrBi 5 exhibits a qualitatively similar magnetic diffraction profile, with k ≃ (0, 0, 0.37). Inelastic neutron scattering measurements resolve two clear, well-separated CEF excitations in both compounds with nearly the same profile, confirming a well-isolated Kramers doublet ground state. At low energies, a broad, quasi-elastic magnetic response is observed at T ≃ T N , whose momentum-dependence is inconsistent with that expected from conventional collective excitations of localized moments. This discrepancy, along with a Kondo temperature estimate T K ~ 6 - 7 K—comparable to T N —indicates sizable Kondo hybridization, which accounts for the moment reduction and the spiral magnetic order that appears to involve the magnetic hard direction. Our results place these compounds in a regime where local inversion symmetry breaking, anisotropic CEF effects, and competing Kondo and RKKY interactions collectively give rise to unconventional magnetic order.

Kondo interaction↗
DOE OSTI2023

Spin dynamics of the generalized quantum spin compass chain

Here we calculate the dynamical spin structure factor of the generalized spin-1/2 compass spin chain using the density matrix renormalization group. The model, also known as the twisted Kitaev spin chain, was recently proposed to be relevant for the description of the spin chain compound CoNb 2 O 6 . It features bond-dependent interactions and interpolates between an Ising chain and a one-dimensional variant of Kitaev's honeycomb spin model. The structure factor, in turn, is found to interpolate from gapped and nondispersive in the Ising limit to gapless with nontrivial continua in the Kitaev limit. In particular, the component of the structure factor perpendicular to the Ising directions changes abruptly at the Kitaev point into a dispersionless continuum due to the emergence of an extensive ground-state degeneracy. We show this continuum is consistent with analytical Jordan-Wigner results. We also discuss implications for future inelastic scattering experiments and applications to materials, particularly CoNb 2 O 6 .

1-dimensional spin chains↗
DOE OSTI2021

Symmetric U(1) and Z 2 spin liquids on the pyrochlore lattice

The geometrically frustrated three-dimensional pyrochlore lattice has been long predicted to host a quantum spin liquid, an intrinsic long-range entangled state with fractionalized excitations. To date, most proposals for pyrochlore materials have focused on quantum spin ice, a U(1) quantum spin liquid whose only low energy excitations are emergent photons of Maxwell type. Here, we explore the possibility of finding pyrochlore quantum spin liquids whose low energy theories go beyond this standard one. We give a complete classification of symmetric U ( 1 ) and Z 2 spin liquids on the pyrochlore lattice within the projective symmetry group framework for fermionic spinons. We find 18 U ( 1 ) spin liquids and 28 Z 2 spin liquids that preserve pyrochlore space-group symmetry while, upon further imposing time-reversal symmetry, the numbers of classes become 16 and 48, respectively. For each class, the most general symmetry-allowed spinon mean-field Hamiltonian is given. Interestingly, we find that several U(1) spin liquid classes possess an unusual gapless multi-nodal-line structure (“nodal star”) in the spinon bands, which is protected by the projective actions of the threefold rotation and screw symmetries of the pyrochlore space group. Through a simple model, we study the effect of gauge fluctuations on such a nodal star spin liquid and propose that the leading terms in the low temperature specific heat have the scaling form C / T ~ T + T / ln T , in contrast to the form C / T ~ T 2 of the standard U(1) pyrochlore spin liquid with gapped spinons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Optically controlled single-valley exciton doublet states with tunable internal spin structures and spin magnetization generation

Manipulating quantum states through light–matter interactions has been actively pursued in two-dimensional materials research. Significant progress has been made toward the optical control of the valley degrees of freedom in semiconducting monolayer transition-metal dichalcogenides, based on doubly degenerate excitons from their two distinct valleys in reciprocal space. Here, we introduce a type of optically controllable doubly degenerate exciton states that come from a single valley, dubbed as single-valley exciton doublet (SVXD) states. They are unique in that their constituent holes originate from the same valence band, making possible the direct optical control of the spin structure of the excited constituent electrons. Combining ab initio GW plus Bethe–Salpeter equation ( GW -BSE) calculations and a theoretical analysis method, we demonstrate such SVXD in substrate-supported monolayer bismuthene—which has been successfully grown using molecular beam epitaxy. In each of the two distinct valleys in the Brillouin zone, strong spin–orbit coupling and C 3 v symmetry lead to a pair of degenerate 1s exciton states (the SVXD states) with opposite spin configurations. Any coherent linear combinations of the SVXD in a single valley can be excited by light with a specific polarization, enabling full manipulation of their internal spin configurations. In particular, a controllable net spin magnetization can be generated through light excitation. Our findings open routes to control quantum degrees of freedom, paving the way for applications in spintronics and quantum information science.

2D materials↗
DOE OSTI2025

Atomically precise synthesis of oxides with hybrid molecular beam epitaxy

Advancements in synthesis science are revolutionizing the way we create atomically precise materials. Techniques like molecular beam epitaxy (MBE) have set the benchmark for addressing long-standing questions in materials science by leveraging improved control over the composition and structure of existing materials and enabling materials discovery. In this review, we discuss recent innovations in MBE that are redefining its capabilities, enabling the fabrication of ultra-pure, defect-engineered films and the stabilization of metastable phases that were previously unattainable. These advancements are unlocking new opportunities in electronic, magnetic, and quantum technologies, where the precise tuning of material properties is essential for advancing device functionality and performance.

complex oxides↗
DOE OSTI2022

Laser-induced forces on atoms during ultrafast demagnetization

Laser-induced femtosecond demagnetization has attracted a broad attention as a possible candidate for information storage technology. However, whether or not lattice vibration directly participates in demagnetization has been highly controversial over a decade. A recent electron diffraction experiment attributed the demagnetization to the polarized phonon effect, but a similar x-ray diffraction experiment attributed it to the Einstein–de Haas effect. Common to both experiments is that neither the angular momentum of the lattice nor the rotation of the sample was directly probed. Here, we report our first first-principles calculation of forces on atoms induced by an ultrafast laser during ultrafast demagnetization. We employ two complementary methods: (i) the frozen lattice with electronic excitation and (ii) frozen excitation but moving the lattice. We find that the forces on atoms start at –50 fs and peak around 30 fs. The magnitude of the force is far smaller than the empirical estimates. Within the limit of our theory, our results suggest that the polarized phonon effect and the Einstein–de Haas effect are unlikely to be the main course of demagnetization. As a result, we expect that our finding has a profound impact on the future direction of laser-induced dynamics in magnetic and quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Tutorial: Extracting entanglement signatures from neutron spectroscopy

This tutorial is a pedagogical introduction to recent methods of computing quantum spin entanglement witnesses from spectroscopy, with a special focus on neutron scattering on quantum spin systems. We offer a brief introduction to the concepts and equations, define a data analysis protocol, and discuss the interpretation of three entanglement witnesses: one-tangle, two-tangle, and Quantum Fisher Information. We also discuss practical experimental considerations, and give three examples of extracting entanglement witnesses from experimental data: Copper Nitrate, KCuF 3 , and NiPS 3 .

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Mixed Nd 4+/3+ and Cluster Magnetism in Hexagonal Perovskite 12R-Ba 4 NdMn 3 O 12−γ

Hexagonal perovskite oxides with 12R stacking host well-separated face-sharing octahedral metal trimers with short metal–metal distances, leading in some cases to large degrees of magnetic frustration and cluster magnetism. Introducing magnetic ions in proximity to these trimers can influence the degree of frustration and cluster magnetism, but the extent to which the magnetism can be tuned by varying neighboring metal cations remains an open question. In this work, we test the impacts of using Nd in proximity to Mn trimers in the hexagonal perovskite 12R-Ba 4 NdMn 3 O 12−γ . Given this stoichiometry, Nd should assume the 4+ oxidation state with a spin state of S = 1, which would be the first realization of Nd 4+ in an oxide environment. Through detailed bulk magnetic, X-ray absorption spectroscopic, and powder neutron diffraction (PND) measurements, we find that Nd 4+ is realized in this material, but there is also partial reduction to Nd 3+ , which is charge-balanced by O vacancies. Magnetometry measurements indicate an antiferromagnetic ordering temperature T N ≈ 16 K, and PND measurements reveal a surprising collinear antiferromagnetic structure with magnetic space group Pc2/m (no. 10.49 in BNS notation), which has not previously been seen in this class of materials. Our results represent a comprehensive analysis of the structural, electronic, and magnetic properties of 12R-Ba 4 NdMn 3 O 12−γ , showing the first observation of partial Nd 4+ in an oxide, and demonstrating that this structural class can host a broad range of magnetic structures which are not easily predicted based on compositional trends.

14 SOLAR ENERGY↗
DOE OSTI2026

Frieze charge-stripes in a correlated kagome superconductor

In kagome metals, geometric frustration, electronic correlations and band topology combine to produce a wide range of intriguing phenomena. Among them, CsCr$_3$Sb$_5$ offers an opportunity to investigate unconventional superconductivity in a strongly correlated kagome system, with indications of frustrated magnetism and quantum criticality. Here, we demonstrate a cascade of density-wave transitions with distinct symmetries in bulk single crystals of CsCr$_3$Sb$_5$. Using spectroscopic imaging scanning tunneling microscopy, we uncover a unidirectional density wave that breaks all mirror symmetries -- resembling a chiral density wave -- but that also retains a mirror glide symmetry. We refer to this as a frieze charge stripe order phase, as its symmetry properties correspond to one of the fundamental frieze symmetry groups. A combination of high-resolution imaging, Fourier analysis and theoretical simulations reveal the key role of sublattice degrees of freedom in stabilizing this phase, characterized by internal chiral textures of opposite handedness. These findings suggest that superconductivity in CsCr$_3$Sb$_5$ emerges from this distinct density wave state and provide fresh insight into realizing electronic phases governed by frieze symmetry groups in quantum materials.

Cheng, Siyu [Boston College, Chestnut Hill, MA (Un↗