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DOE OSTI2025

Investigation of magnetic and electrical transport properties of YMB 4 (M = Cr, Fe, and Co) compounds

We have studied the structural, magnetic, and electrical transport properties of the YMB 4 series of compounds (M= Cr, Fe, and Co). These materials exhibit high stability and possess notable refractory and thermoelectric properties. Furthermore, recent theoretical predictions suggest that some of these compounds may display quantum magnetism and dimer formation among the magnetic ions. We have synthesized almost single phase YMB 4 compounds in the orthorhombic crystal structure (space group Pbam) using arc-melting and annealing. The Rietveld analysis of the room-temperature X-ray diffraction patterns reveals a clear change in the lattice parameter c, which correlates with the atomic radii of Cr, Fe, and Co. The temperature variation of resistivity measured between 2 K and 300 K reveals a metallic electron transport in all three YMB 4 compounds. However, no abrupt change in resistivity due to structural or magnetic phase transitions is observed. Additionally, a weak positive magnetoresistance of 1%–2% has been measured at 2.5 K, the contribution from the metallic impurity cannot be ruled out. The carrier concentration, on the order of 10 21 cm −3 , has been determined using conventional Hall measurements. The thermomagnetic curves recorded between 2 K and 350 K reveal the non-magnetic behavior of all these compounds. However, a small magnetic moment from paramagnetic/ferromagnetic impurity phases is detected at low temperatures. Above room temperature, no magnetic transition associated with the breaking of a dimer is observed.

borides↗

DOE OSTI2021

Bilayer Wigner crystals in a transition metal dichalcogenide heterostructure

One of the first theoretically predicted manifestations of strong interactions in many-electron systems was the Wigner crystal, in which electrons crystallize into a regular lattice. The crystal can melt via either thermal or quantum fluctuations. Quantum melting of the Wigner crystal is predicted to produce exotic intermediate phases and quantum magnetism because of the intricate interplay of Coulomb interactions and kinetic energy. However, studying two-dimensional Wigner crystals in the quantum regime has often required a strong magnetic field or a moiré superlattice potential, thus limiting access to the full phase diagram of the interacting electron liquid. Here we report the observation of bilayer Wigner crystals without magnetic fields or moiré potentials in an atomically thin transition metal dichalcogenide heterostructure, which consists of two MoSe 2 monolayers separated by hexagonal boron nitride. We observe optical signatures of robust correlated insulating states at symmetric (1:1) and asymmetric (3:1, 4:1 and 7:1) electron doping of the two MoSe 2 layers at cryogenic temperatures. Here, we attribute these features to bilayer Wigner crystals composed of two interlocked commensurate triangular electron lattices, stabilized by inter-layer interaction. The Wigner crystal phases are remarkably stable, and undergo quantum and thermal melting transitions at electron densities of up to 6 × 10 12 per square centimetre and at temperatures of up to about 40 kelvin. Our results demonstrate that an atomically thin heterostructure is a highly tunable platform for realizing many-body electronic states and probing their liquid–solid and magnetic quantum phase transitions.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Frustrated Magnetism in FeGe 3 O 4 with a Chiral Trillium Network

The discovery of new magnetic ground states in geometrically frustrated lattices remains a central challenge in materials science. Here, we report the synthesis, structural characterization, and frustrated magnetic properties of FeGe 3 O 4 , a newly identified compound that crystallizes in the noncentrosymmetric cubic space group P 2 1 3. In this structure, Fe atoms form an intricate double-trillium lattice with nearest-neighbor Fe−Fe distances of ∼4.2 Å, while Ge 2+ ions mediate magnetic interactions through Fe− Ge−Fe pathways. Field-dependent magnetization at 2 K shows a pronounced nonlinearity, reaching a maximum moment of 2.55(3) μ B /Fe 2+ at 70 kOe without evidence of saturation. Magnetic susceptibility, heat capacity, and neutron scattering collectively reveal the onset of short-range magnetic interactions near 5 K, with no longrange ordering detected down to 0.06 K. Specific heat measurements demonstrate strong frustration: only ∼34% of the expected magnetic entropy is recovered at 2.4 K. Taken together, these results establish FeGe 3 O 4 as a rare example of a geometrically frustrated trillium lattice magnet, offering a promising platform for exploring exotic quantum magnetic phenomena.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

The Modulated Crystal Structure of K 2 V 3 O 8

Weak lattice distortions can tune exchange pathways and magnetic interactions in square-lattice quantum magnets. K 2 V 3 O 8 is a mixed valence (V 4+ /V 5+ ) fresnoite oxide that exhibits strong spin–lattice coupling at low temperature. Here, we combine single-crystal neutron diffraction (90 K) and laboratory X-ray diffraction (50 K) to solve the low-temperature structure as an orthorhombic (3 + 1)D incommensurately modulated phase in superspace group Cmm2(β,0,1/2)0s0 [No. 196]. What initially appeared as two independent modulation vectors, q 1 = 0.3132(6)[$110$] + 1/2c* and q 2 = 0.3132(6)[$1\bar{10}$] + 1/2c*, are more naturally described as a single one-dimensional modulation wave q = 0.626(1)a* + 1/2c* in a C-centered orthorhombic lattice, related to the parent tetragonal cell by the transformation a + b, −a + b, c. Refinement with a 4-fold rotational twin inherited from the P4bm parent structure solves oxygen-dominated framework distortions and K + displacements. A de Wolff section (t = 0.40) enables a symmetry-mode decomposition, identifying three dominant mm2 (C 2v ) modes: GM3 for framework tilt, A5 for interlayer shear, and Z5 for c-axis breathing. The mode-resolved structure provides a unified, symmetry-based explanation for reported low-temperature Raman and IR anomalies and clarifies the structural origin of the spin–lattice coupling in the S = 1/2 two-dimensional quantum spin compound.

K2V3O8↗

DOE OSTI2022

Dynamical phase transitions in the collisionless pre-thermal states of isolated quantum systems: theory and experiments

Abstract We overview the concept of dynamical phase transitions (DPTs) in isolated quantum systems quenched out of equilibrium. We focus on non-equilibrium transitions characterized by an order parameter, which features qualitatively distinct temporal behavior on the two sides of a certain dynamical critical point. DPTs are currently mostly understood as long-lived prethermal phenomena in a regime where inelastic collisions are incapable to thermalize the system. The latter enables the dynamics to substain phases that explicitly break detailed balance and therefore cannot be encompassed by traditional thermodynamics. Our presentation covers both cold atoms as well as condensed matter systems. We revisit a broad plethora of platforms exhibiting pre-thermal DPTs, which become theoretically tractable in a certain limit, such as for a large number of particles, large number of order parameter components, or large spatial dimension. The systems we explore include, among others, quantum magnets with collective interactions, ϕ 4 quantum field theories, and Fermi–Hubbard models. A section dedicated to experimental explorations of DPTs in condensed matter and AMO systems connects this large variety of theoretical models.

Physics↗

NASA NTRS1975

Quantum processes in strong magnetic fields

Quantum-mechanical processes that occur in a piece of matter embedded in a magnetic field with a strength of the order of 10 to the 13th power G are described which either are entirely due to the presence of the field or become modified because of it. The conversion of rotational energy into electromagnetic energy in pulsars is analyzed as a mechanism for producing such a field, and it is shown that a strong magnetic field is not sufficient for quantum effects to play a significant role; in addition, the density must be adjusted to be as low as possible. The pressure and energy density of a free electron gas in a uniform magnetic field are evaluated, neutron beta-decay in the presence of a strong field is examined, and the effect of such a field on neutrino reactions is discussed. The thermal history of a neutron star is studied, and it is concluded that a strong magnetic field helps to increase the cooling rate of the star by producing new channels through which neutrinos can carry away energy.

Canuto, V.↗

DOE OSTI2020

Interfacial tuning of chiral magnetic interactions for large topological Hall effects in LaMnO 3 /SrIrO 3 heterostructures

Chiral interactions in magnetic systems can give rise to rich physics manifested, for example, as nontrivial spin textures. The foremost interaction responsible for chiral magnetism is the Dzyaloshinskii-Moriya interaction (DMI), resulting from inversion symmetry breaking in the presence of strong spin-orbit coupling. However, the atomistic origin of DMIs and their relationship to emergent electrodynamic phenomena, such as topological Hall effect (THE), remain unclear. Here, we investigate the role of interfacial DMIs in 3 d –5 d transition metal-oxide-based LaMnO 3 /SrIrO 3 superlattices on THE from a chiral spin texture. By additively engineering the interfacial inversion symmetry with atomic-scale precision, we directly link the competition between interfacial collinear ferromagnetic interactions and DMIs to an enhanced THE. The ability to control the DMI and resulting THE points to a pathway for harnessing interfacial structures to maximize the density of chiral spin textures useful for developing high-density information storage and quantum magnets for quantum information science.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Quantum Disordered State of Magnetic Charges in Nanoengineered Honeycomb Lattice

Abstract A quantum magnetic state due to magnetic charges is never observed, even though they are treated as quantum mechanical variables in theoretical calculations. Here, the occurrence of a novel quantum disordered state of magnetic charges in a nanoengineered magnetic honeycomb lattice of ultra‐small connecting elements is demonstrated. The experimental research, performed using spin resolved neutron scattering, reveals a massively degenerate ground state, comprised of low integer and energetically forbidden high integer magnetic charges, that manifests cooperative paramagnetism at low temperature. The system tends to preserve the degenerate configuration even under large magnetic field application. It exemplifies the robustness of disordered correlation of magnetic charges in a 2D honeycomb lattice. The realization of quantum disordered ground state elucidates the dominance of exchange energy, which is enabled due to the nanoscopic magnetic element size in nanoengineered honeycomb. Consequently, an archetypal platform is envisaged to study quantum mechanical phenomena due to emergent magnetic charges.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Simulating dirty bosons on a quantum computer

Abstract Quantum computers hold the potential to unlock new discoveries in complex quantum systems by enabling the simulation of physical systems that have heretofore been impossible to implement on classical computers due to intractability. A system of particular interest is that of dirty bosons, whose physics highlights the intriguing interplay of disorder and interactions in quantum systems, playing a central role in describing, for instance, ultracold gases in a random potential, doped quantum magnets, and amorphous superconductors. Here, we demonstrate how quantum computers can be used to elucidate the physics of dirty bosons in one and two dimensions. Specifically, we explore the disorder-induced delocalized-to-localized transition using adiabatic state preparation. In one dimension, the quantum circuits can be compressed to small enough depths for execution on currently available quantum computers. In two dimensions, the compression scheme is no longer applicable, thereby requiring the use of large-scale classical state vector simulations to emulate quantum computer performance. In addition, simulating interacting bosons via emulation of a noisy quantum computer allowed us to study the effect of quantum hardware noise on the physical properties of the simulated system. Our results suggest that scaling laws control how noise modifies observables versus its strength, the circuit depth, and the number of qubits. Moreover, we observe that noise impacts the delocalized and localized phases differently. A better understanding of how noise alters the observed properties of the simulated system is essential for leveraging near-term quantum devices for simulation of dirty bosons, and indeed for condensed matter systems in general.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Manipulating Cu vacancy in Yb triangular lattice Materials: Investigating the quantum disordered compound CuYbSe 2 and spin glass Cu 2.73 ⁢YbP 2

Yb-based triangular lattice materials have attracted significant attention due to their potential for hosting exotic magnetic quantum states. In this paper, we report the structural, magnetic, and thermodynamic properties of two Yb triangular lattice compounds with vacancy disorder at nonmagnetic Cu sites: CuYbSe 2 and Cu 2.73 ⁢YbP 2 . Single-crystal x-ray diffraction determines notable Cu-site vacancies in both materials. Unlike a single Cu site with 0.5 occupancy in CuYbSe 2 , Cu 2.73 ⁢YbP 2 only presents 27% vacancies on one of three Cu sites. Magnetic susceptibility measurements indicate dominant antiferromagnetic interactions between Yb 3+ ions. The effective magnetic moment is consistent with an effective spin-1/2 state of Yb 3+ . CuYbSe 2 exhibits strong magnetic anisotropy between in-plane and out-of-plane directions with the estimated exchange interactions 𝐽 𝑎 /𝑘 B = 6.48 K and 𝐽 𝑐 /𝑘 B = 2.55 K. No magnetic ordering is observed down to 0.4 K, supporting its quantum disordered ground state and candidacy as a quantum spin liquid. In contrast, Cu 2.73 ⁢YbP 2 shows clear evidence of spin freezing at 4.5 K in both magnetization and heat capacity data, indicating a spin glass state. The field-induced magnetic orders are found in CuYbSe 2 . These results highlight the critical role of structural vacancies in perturbing Yb-based triangular lattices. In conclusion, we demonstrate that while the intrinsic Yb triangular lattices are comparable, the presence of Cu vacancies can fundamentally alter the magnetic ground state—tuning the system between quantum disordered and spin glass behavior.

Frustrated magnetism↗

DOE OSTI2025

Correlation between complex spin textures and the magnetocaloric and Hall effects in Eu⁢(Ga 1−𝑥 ⁢Al 𝑥 ) 4 (𝑥=0.9, 1)

Determining the electronic phase diagram of a quantum material as a function of temperature (𝑇) and applied magnetic field (𝐻) forms the basis for understanding the microscopic origin of transport properties, such as the anomalous Hall effect (AHE) and topological Hall effect (THE). For many magnetic quantum materials, including Eu⁢Al 4 , a THE arises from a topologically protected magnetic skyrmion lattice with a nonzero scalar spin chirality. We identified a square skyrmion lattice (sSkL) peak in Eu⁢(Ga 1−𝑥 ⁢Al 𝑥 ) 4 (𝑥=0.9) identical to the peak previously observed in Eu⁢Al 4 by performing neutron-scattering measurements throughout the phase diagram. Here, comparing these neutron results with transport measurements, we found that in both compounds the maximal THE does not correspond to the sSkL area. Instead of the maximal THE, the maximal magnetocaloric-effect boundaries better identify the sSkL lattice phase observed by neutron-scattering measurements. The maximal THE therefore arises from interactions of itinerant electrons with frustrated spin fluctuations in a topologically trivial magnetic state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Theory meets experiment: Insights into structure and magnetic properties of Fe 1-x Ni x B alloy

Here, we studied the structural and magnetic properties of the solid solution Fe 1-x Ni x B through theoretical and experimental approaches. Powder X-ray diffraction, X-ray Pair Distribution Function analysis, and energy dispersive X-ray spectroscopy reveal that the Fe 1-x Ni x B solid solution crystallizes in the β-FeB structure type up to x = 0.6–0.7 and exhibits anisotropic unit cell volume contraction with increasing Ni concentration. Magnetic measurements showed a transition from ferromagnetism to paramagnetism around x = 0.7. For x = 0.5, the low (< 0.3 μ B ) magnetic moments suggest itinerant magnetism despite the relatively high Curie temperature (up to 225 K). Theoretical calculations indicated different types of magnetic orderings depending on the Fe/Ni atomic order, with the antiferromagnetic state being stable for ordered FeNiB 2 , whereas the ground state is ferromagnetic for the disordered alloy. Calculations also predicted the coexistence of low- and high-spin states in Fe atoms around the composition with x = 0.5, in line with the experimental evidence from 57 Fe Mössbauer spectroscopy. The two magnetically distinct Fe sites for x = 0.3, 0.4, and 0.5 observed by 57 Fe Mössbauer spectroscopy can also be interpreted as two magnetically different regions or clusters. The formation of these clusters could affect the critical behavior near a quantum magnetic transition based on a potential ferromagnetic quantum critical point identified computationally and experimentally near x = 0.64. This work highlights the complex interplay between structure and magnetism in Fe 1-x Ni x B alloys, suggesting areas for future research on quantum critical behavior.

Bhaskar, Gourab [Iowa State Univ., Ames, IA (Unite↗

DOE OSTI2025

Field-tunable BKT and quantum phase transitions in spin-$\frac{1}{2}$ triangular lattice antiferromagnet

Quantum magnetism is one of the most active fields for exploring exotic phases and phase transitions. The recently synthesized Na 2 BaCo(PO 4 ) 2 (NBCP) is an ideal material incarnation of the spin-$\frac{1}{2}$ easy-axis triangular lattice antiferromagnet (TLAF). Experimental evidence shows that NBCP hosts the spin supersolid state with a giant magnetocaloric effect. Theory further predicts that magnetic fields can drive NBCP through Berezinskii-Kosterlitz-Thouless (BKT) and other richer quantum phase transitions. However, detecting these transitions is challenging, as they onset at ultralow temperatures near 60 mK and require high magnetization sensitivity. Using a newly developed gradient force magnetometer in a dilution refrigerator, we mapped the magnetic susceptibility phase diagram down to 30 mK. Our results provide a more comprehensive and accurate understanding of BKT melting of spin supersolidity and several field-tunable quantum phase transitions, which establish NBCP as a model platform for frustrated magnetism and highlight potential applications of its giant magnetocaloric effects.

BKT transition↗

DOE OSTI2020

Quantum field theory of topological spin dynamics

Here, we develop a field theory of quantum magnets and magnetic (semi)metals, which is suitable for the analysis of their universal and topological properties. The systems of interest include collinear, coplanar, and general noncoplanar magnets. At the basic level, we describe the dynamics of magnetic moments using smooth vector fields in the continuum limit. Dzyaloshinskii-Moriya interaction is captured by a non-Abelian vector gauge field, and chiral spin couplings related to topological defects appear as higher-rank antisymmetric tensor gauge fields. We distinguish type-I and type-II magnets by their equilibrium response to the non-Abelian gauge flux, and characterize the resulting lattices of skyrmions and hedgehogs, the spectra of spin waves, and the chiral response to external perturbations. The general spin-orbit coupling of electrons is similarly described by non-Abelian gauge fields, including higher-rank tensors related to the electronic Berry flux. Itinerant electrons and local moments exchange their gauge fluxes through Kondo and Hund interactions. Hence, by utilizing gauge fields, this theory provides a unifying physical picture of “intrinsic” and “topological” anomalous Hall effects, spin-Hall effects, and other correlations between the topological properties of electrons and moments. We predict “topological” magnetoelectric effect in materials prone to hosting hedgehogs. Links to experiments and model calculations are provided by deriving the couplings and gauge fields from generic microscopic models, including the Hubbard model with spin-orbit interactions. Much of the formal analysis is generalized to d spatial dimensions in order to access the $π_{d–1}(S^{d–1})$ homotopy classification of the magnetic hedgehog topological defects, and establish the possibility of novel quantum spin liquids that exhibit a fractional magnetoelectric effect. However, we emphasize the form of all results in the physically relevant $\textit{d}$ = 3 dimensions, and discuss a few applications to topological magnetic conductors like Mn 3 Sn and Pr 2 Ir 2 O 7 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Quantum Oscillations in the Heat Capacity of Kondo Insulator YbB 12

Here, we observe magnetic quantum oscillations in the heat capacity of the Kondo insulator YbB 12 . The frequency of these oscillations, 𝐹 = 700 T, agrees with that from magnetoresistance and torque magnetometry experiments for 𝜇 0 ⁢𝐻 >35 T in the Kondo insulating phase. Remarkably, the quantum-oscillation amplitudes in the heat capacity are substantial, with Δ⁢$\tilde{C}/T$ ≈ 0.5 mJ mol −1 K −2 at 0.8 K, accounting for 13% of the known linear heat-capacity coefficient 𝛾. Double-peak structures of quantum-oscillation amplitudes due to the distribution function of fermions were identified and used to determine the value of the effective mass from the heat capacity, which agrees well with that from torque magnetometry. These observations support bulk charge-neutral fermions contributing to the quantum oscillations in YbB 12 .

36 MATERIALS SCIENCE↗

DOE OSTI2023

Field-tuned quantum renormalization of spin dynamics in the honeycomb lattice Heisenberg antiferromagnet YbCl 3

The basis for our understanding of quantum magnetism has been the study of elegantly simple model systems. However, even for the antiferromagnetic honeycomb lattice with isotropic spin interactions–one of the simplest model systems–a detailed understanding of quantum effects is still lacking. Here, using inelastic neutron scattering measurements of the honeycomb lattice material YbCl 3 , we elucidate how quantum effects renormalize the single-magnon and multimagnon excitations and how this renormalization can be tuned and ultimately driven to the classical limit by applying a magnetic field. Additionally, our work reveals that the quantum effects tuned by the magnetic field not only renormalize the magnetic excitations but also induce a distinctive sharp feature inside the multimagnon continuum. From a more general perspective, this result demonstrates that structures within magnetic continua can occur over a wide experimental parameter space and can be used as a reliable means of identifying quantum phenomena.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Landau-level composition of bound exciton states in magnetic field

Here, we present a theory that studies the state composition of a bound exciton in magnetic field. Using a basis set made of products of free electron and hole wave functions in Landau gauge, we derive a secular equation which shows the relation between Landau levels (LLs) of the electron and hole when a bound exciton is formed. Focusing on excitons in the light cone, we establish a scattering selection rule for the interaction of an electron in LL 𝑛 e with a hole in LL 𝑛 h . We solve the resulting secular equation and identify a simple pairing law, 𝑛 e =𝑛 h +𝑙, which informs us on the construction of a bound exciton state with magnetic quantum number 𝑙, and on the interaction of the exciton magnetic moment with magnetic field. We obtain good agreement between theory results and recent measurements of the diamagnetic shifts of exciton states in WSe 2 monolayers.

2-dimensional systems↗

DOE OSTI2020

Theory of strain-induced magnetic order and splitting of $T_c$ and $T_{\text{TRSB}}$ in Sr 2 RuO 4

The internal structure of the superconducting state in Sr 2 RuO 4 remains elusive at present, and exhibits evidence for time-reversal symmetry breaking. Recent muon spin relaxation measurements under uniaxial strain have revealed an increasing splitting between the superconducting critical temperature $T_c$ and the onset of time-reversal symmetry breaking $T_{\text{TRSB}}$ with applied strain. In addition, static magnetic order is induced by the uniaxial strain beyond ~1 GPa, indicating that unstrained Sr 2 RuO 4 is close to a magnetic quantum critical point. Here we perform a theoretical study of the magnetic susceptibility and the associated pairing structure as a function of uniaxial strain. In this work, it is found that the recent muon relaxation data can be qualitatively explained from the perspective of spin-fluctuation mediated pairing and the associated strain dependence of accidentally degenerate pair states in unstrained Sr 2 RuO 4 . In addition, while unstrained Sr 2 RuO 4 features mainly (2π /3, 2π /3) magnetic fluctuations, uniaxial strain promotes (π, ±π /2) magnetic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗