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DOE OSTI2023

Beyond single tetrahedron physics of the breathing pyrochlore compound Ba 3 ⁢Yb 2 ⁢Zn 5 ⁢O 11

Recently, a new class of quantum magnets, the so-called breathing pyrochlore spin systems, have attracted much attention due to their potential to host exotic emergent phenomena. Here, we present magnetometry, heat capacity, thermal conductivity, muon-spin relaxation, and polarized inelastic neutron scattering measurements performed on high-quality single crystal samples of the breathing pyrochlore compound Ba 3 ⁢Yb 2 ⁢Zn 5 ⁢O 11 . We interpret these results using a simplified toy model and provide insight into the low-energy physics of this system beyond the single tetrahedron physics proposed previously.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Spatially anisotropic 𝑆=1 square-lattice antiferromagnet with single-ion anisotropy realized in a Ni(II) pyrazine-𝑛,𝑛′-dioxide coordination polymer

The Ni(NCS) 2 (pyzdo) 2 coordination polymer is found to be an S = 1 spatially anisotropic square lattice with easy-axis single-ion anisotropy. This conclusion is based upon considering in concert the experimental probes x-ray diffraction, magnetic susceptibility, magnetic-field-dependent heat capacity, muon-spin relaxation, neutron diffraction, neutron spectroscopy, and pulsed-field magnetization. Long-range antiferromagnetic (AFM) order develops at T N = 18.5 K. Although the samples are polycrystalline, there is an observable spin-flop transition and saturation of the magnetization at ≈80 T. Linear spin-wave theory yields spatially anisotropic exchanges within an AFM square lattice, J x =0.235 meV, J y =2.014 meV, and an easy-axis single-ion anisotropy D=−1.622 meV (after renormalization). The anisotropy of the exchanges is supported by density functional theory.

2-dimensional systems↗
DOE OSTI2023

Tuning the magnetic properties of the CrMnFeCoNi Cantor alloy

Magnetic properties of more than 20 Cantor alloy samples of varying composition were investigated over a temperature range of 5 K to 300 K and in fields of up to 70 kOe using magnetometry and muon spin relaxation. Two transitions are identified: a spin-glass-like transition that appears between 55K and 190K, depending on composition, and a ferrimagnetic transition that occurs at approximately 43K in multiple samples with widely varying compositions. The magnetic signatures at 43K are remarkably insensitive to chemical composition. A modified Curie-Weiss model was used to fit the susceptibility data and to extract the net effective magnetic moment for each sample. The resulting values for the net effective moment were either diminished with increasing Cr or Mn concentrations or enhanced with decreasing Fe, Co, or Ni concentrations. Beyond a sufficiently large effective moment, the magnetic ground state transitions from ferrimagnetism to ferromagnetism. The effective magnetic moments, together with the corresponding compositions, are used in a global linear regression analysis to extract element-specific effective magnetic moments, which are compared to the values obtained by ab initio based density functional theory calculations. Finally, these moments provide the information necessary to controllably tune the magnetic properties of Cantor alloy variants.

36 MATERIALS SCIENCE↗
DOE OSTI2023

$μ^+$ Knight shift in UTe 2 : Evidence for relocalization in a Kondo lattice

The local magnetic susceptibility of the spin-triplet superconductor UTe 2 has been investigated by positive muon (μ + ) Knight shift measurements in the normal state. Three distinct μ + Knight shift components are observed for a magnetic field applied parallel to the c axis. Two of these exhibit a breakdown in the linear relationship with the bulk magnetic susceptibility (χ) below a temperature T*~30K, which points to a gradual emergence of a correlated Kondo liquid. Below T r ~12K linearity is gradually restored, indicating relocalization of the Kondo liquid quasiparticles. The third Knight shift component is two orders of magnitude larger, and despite the c-axis alignment of the external field, scales with the a axis χ above T r ~12K. We conjecture that this component is associated with magnetic clusters and the change in the temperature dependence of all three Knight shift components below T r is associated with a change in magnetic correlations. Finally, our findings indicate that prior to the onset of superconductivity the development of the itinerant heavy-electron fluid is halted by a gradual development of local U 5⁢ƒ-moment fluctuations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Electronic structure and lattice dynamics of 1⁢𝑇−VSe 2 : Origin of the three-dimensional charge density wave

To characterize in detail the charge density wave (CDW) transition of 1⁢𝑇−VSe 2 , its electronic structure and lattice dynamics are comprehensively studied by means of x-ray diffraction, muon spectroscopy, angle resolved photoemission (ARPES), diffuse and inelastic x-ray scattering, and state-of-the-art first-principles density functional theory calculations. Resonant elastic x-ray scattering does not show any resonant enhancement at either V or Se, indicating that the CDW peak at the 𝐾 edges describes a purely structural modulation of the electronic ordering. ARPES experiments identify (i) a pseudogap at 𝑇 > 𝑇⁢ CDW , which leads to a depletion of the density of states in the ML-M'L' plane at 𝑇 < 𝑇⁢ CDW , and (ii) anomalies in the electronic dispersion reflecting a sizable impact of phonons on it. A diffuse scattering precursor, characteristic of soft phonons, is observed at room temperature (RT) and leads to the full collapse of the low-energy phonon (𝜔 1 ) with propagation vector (0.25 0 −0.3) r.l.u. Here, we show that the frequency and linewidth of this mode are anisotropic in momentum space, reflecting the momentum dependence of the electron-phonon interaction (EPI), hence demonstrating that the origin of the CDW is, to a much larger extent, due to the momentum dependent EPI with a small contribution from nesting. The pressure dependence of the 𝜔 1 soft mode remains nearly constant up to 13 GPa at RT, with only a modest softening before the transition to the high-pressure monoclinic C2/m phase. The wide set of experimental data is well captured by our state-of-the art first-principles anharmonic calculations with the inclusion of van der Waals corrections in the exchange-correlation functional. The comprehensive description of the electronic and dynamical properties of VSe 2 reported here adds important pieces of information to the understanding of the electronic modulations in the family of transition-metal dichalcogenides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Magnetism in the axion insulator candidate Eu 5 In 2 Sb 6

Eu 5 In 2 Sb 6 is a member of a family of orthorhombic nonsymmorphic rare-earth intermetallics that combines large localized magnetic moments and itinerant exchange with a low carrier density and perpendicular glide planes. This may result in special topological crystalline (wallpaper fermion) or axion insulating phases. Recent studies of Eu 5 In 2 Sb 6 single crystals have revealed colossal negative magnetoresistance and multiple magnetic phase transitions. Here, we clarify this ordering process using neutron scattering, resonant elastic x-ray scattering, muon spin-rotation, and magnetometry. The nonsymmorphic and multisite character of Eu 5 In 2 Sb 6 results in coplanar noncollinear magnetic structures with an Ising-like net magnetization along the a axis. A reordering transition, attributable to competing ferro- and antiferromagnetic couplings, manifests as the onset of a second commensurate Fourier component. In the absence of spatially resolved probes, the experimental evidence for this low-temperature state can be interpreted either as an unusual double- q structure or in a phase separation scenario. The net magnetization produces variable anisotropic hysteretic effects which also couple to charge transport. The implied potential for functional domain physics and topological transport suggests that this structural family may be a promising platform to implement concepts of topological antiferromagnetic spintronics. Published by the American Physical Society 2024

Rahn, M. C. (ORCID:0000000174038288)↗
DOE OSTI2024

Magnon gap tuning in lithium-doped MnTe

Manganese telluride (MnTe) is a prospective platform for ultrafast carrier dynamics, spin-based thermoelectrics, and magnon-drag transport due to its unique electronic and magnetic properties. We use inelastic neutron scattering to study both pure and lithium-doped MnTe, focusing on the influence of doping in opening a magnon gap. We use neutron powder diffraction to determine critical exponents for the phase transition in both pure and Li-doped MnTe and complement this information with muon spin rotation/relaxation. In conclusion, the opening of the magnon gap and spin reorientation in Li-doped MnTe is mainly due to increased magnetic anisotropy along the [001] axis, a feature not present in pure MnTe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Effect of Ni substitution on the fragile magnetic system La 5 Co 2 Ge 3

La 5⁢ Co 2 ⁢Ge 3 is an itinerant ferromagnet with a Curie temperature T C of ~3.8K and a remarkably small saturated moment of 0.1µ B /Co. Here we present the growth and characterization of single crystals of the La 5 ⁢(Co 1–x⁢ Ni x ) 2 Ge 3 series for 0.00 ≤ x ≤ 0.186. Here we measured powder x-ray diffraction, composition as well as anisotropic temperature-dependent resistivity, temperature and field-dependent magnetization along with heat capacity on these single crystals. We also measured muon-spin rotation/relaxation (μ⁢SR) for some Ni substitutions (x = 0.027,0.036,0.074) to study the evolution of internal field with Ni substitution. Using the measured data we infer a low temperature, transition temperature-composition phase diagram for La 5 ⁢(Co 1–x ⁢Ni x ) 2 Ge 3 . We find that T C is suppressed for low dopings, x ≤ 0.014; whereas for 0.036 ≤ x ≤ 0.186, the samples are antiferromagnetic with a Néel temperature T N that goes through a weak and shallow maximum (T N ~ 3.4K for x~0.07) and then gradually decreases to 2.4 K by x = 0.186. For intermediate Ni substitutions, 0.016 ≤ x ≤ 0.027, two transition temperatures are inferred with T N >T C . Whereas the T–x phase diagram for La 5 ⁢(Co 1–x ⁢Ni x ) 2 Ge 3 and the T–p phase diagram determined for the parent La 5 ⁢Co 2 ⁢Ge 3 under hydrostatic pressure are grossly similar, changing from a low-doping or low-pressure ferromagnetic (FM) ground state to a high-doped or high-pressure antiferromagnetic (AFM) state, perturbation by Ni substitution enabled us to identify an intermediate doping regime where both FM and AFM transitions occur.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Magnetic edge fields in UTe 2 near zero background fields

Chiral superconductors are theorized to exhibit spontaneous edge currents. Here, in this study, we found magnetic fields at the edges of UTe 2 , a candidate odd-parity chiral superconductor, that seem to agree with predictions for a chiral order parameter. However, we did not detect the chiral domains that would be expected, and recent polar Kerr and muon spin relaxation data in nominally clean samples argue against chiral superconductivity. Our results show that hidden sources of magnetism must be carefully ruled out when using spontaneous edge currents to identify chiral superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Magnetic properties of a staggered S = 1 chain with an alternating single-ion anisotropy direction

Materials composed of spin-1 antiferromagnetic (AFM) chains are known to adopt complex ground states that are sensitive to the single-ion-anisotropy (SIA) energy ( D ), and intrachain ( J 0 ) and interchain ( J 1 , 2 ′ ) exchange energy scales. While theoretical and experimental studies have extended this model to include various other energy scales, the effect of the lack of a common SIA axis is not well explored. Here we investigate the magnetic properties of Ni ( pyrimidine ) ( H 2 O ) 2 ( NO 3 ) 2 , a chain compound where the tilting of Ni octahedra leads to a twofold alternation of the easy-axis directions along the chain. Muon-spin relaxation measurements indicate a transition to long-range order at T N = 2.3 K and the magnetic structure is initially determined to be antiferromagnetic and collinear using elastic neutron diffraction experiments. Inelastic neutron scattering measurements were used to find J 0 = 5.107 ( 7 ) K , D = 2.79 ( 1 ) K , J 1 ′ = 0.00 ( 5 ) K , J 2 ′ = 0.18 ( 3 ) K , and a rhombic anisotropy energy E = 0.19 ( 9 ) K . Mean-field modeling reveals that the ground state structure hosts spin canting of ϕ ≈ 6 . 5 ∘ , which is not detectable above the noise floor of the elastic neutron diffraction data. Monte Carlo simulation of the powder-averaged magnetization, M ( H ) , is then used to confirm these Hamiltonian parameters, while single-crystal M ( H ) simulations provide insight into features observed in the data. Published by the American Physical Society 2025

Vaidya, S. (ORCID:000000033975497X)↗
DOE OSTI2020

Superallowed 0 + → 0 + nuclear β decays: 2020 critical survey, with implications for V ud and CKM unitarity

A new critical survey of all half-life, decay-energy and branching-ratio measurements related to 23 superallowed 0 + → 0 + β decays is presented. Included are 222 individual measurements of comparable precision obtained from 174 published references. Compared with our last survey in 2015, we have added results from 28 new publications and eliminated an approximately equal number whose results have been superseded by much more precise modern data. We obtain world-average ft values for each of the 21 transitions that have a complete set of data, then apply radiative and isospin-symmetry-breaking corrections to extract “corrected” Ft values. Fifteen of these Ft values now have a precision of 0.3% or better and all take the same value within statistics, as expected from conservation of the vector current. Their average, Ft¯, when combined with the muon lifetime, yields the up-down quark-mixing element of the Cabibbo-Kobayashi-Maskawa matrix, V ud = 0.97373 ± 0.00031. This is lower than our 2015 result by one standard deviation and its uncertainty is increased by 50%. This is a consequence, not of any shifts in the experimental data, but of new calculations for the radiative corrections. The lower V ud value now leads to greater tension in the top-row test of unitarity in the CKM matrix. Updates in experimental data have independently led to a factor-of-two tighter limit being set on the possible existence of a scalar interaction. In conclusion, the new limit on Fierz interference is b F ≤ 0.0033 at the 90% confidence level.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Modeling quasielastic interactions of monoenergetic kaon decay-at-rest neutrinos

Monoenergetic muon neutrinos at 236 MeV are readily produced in intense medium-energy proton facilities (≳2–3GeV) when a positive kaon decays at rest (KDAR; K + →μ + ν μ ). These neutrinos provide a unique opportunity to both study the neutrino interaction and probe the nucleus with a monoenergetic weak-interaction-only tool. We present cross-section calculations for quasielastic scattering of these 236-MeV neutrinos off 12 C and 40 Ar, paying special attention to low-energy aspects of the scattering process. Our model takes the description of the nucleus in a mean-field approach as the starting point, where we solve Hartree-Fock equations using a Skyrme type nucleon-nucleon interaction. Thereby, we introduce long-range nuclear correlations by means of a continuum random-phase approximation (CRPA) framework where we solve the CRPA equations using a Green's function method. The model successfully describes (e,e') data on 12 C and 40 Ca in the kinematic region that overlaps with the KDAR ν μ phase space. In addition to these results, we present future prospects for precision KDAR cross-section measurements and applications of our calculations in current and future experiments that will utilize these neutrinos.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Measuring recoiling nucleons from the nucleus with the future Electron Ion Collider

Short range correlated nucleon-nucleon (NN) pairs are an important part of the nuclear ground state. They are typically studied by scattering an electron from one nucleon in the pair and detecting its spectator correlated partner (spectator-nucleon tagging). The Electron Ion Collider (EIC)should be able to detect these nucleons, since they are boosted to high momentum in the lab frame by the momentum of the ion beam. To determine the feasibility of these studies with the planned EIC detector configuration, we have simulated quasi-elastic scattering for two electron and ion beam energy configurations: 5 GeV electrons and 41 GeV/A ions, and 10 GeV electrons and 110 GeV/A ions. We show that the knocked-out and recoiling nucleons can be detected over a wide range of initial nucleon momenta. We also show that these measurements can achieve much larger momentum transfers than current fixed target experiments. By detecting both low and high initial-momentum nucleons,the EIC will provide the data that should allow scientists to definitively show if the EMC effect and short-range correlation are connected, and to improve our understanding of color transparency

Hauenstein, F. (ORCID:0000000212652212)↗
DOE OSTI2024

In-medium changes of nucleon cross sections tested in neutrino-induced reactions

Historically, studied in the context of heavy-ion collisions, the extent to which free nucleon-nucleon cross sections are modified in-medium remains undetermined by these data sets. Therefore, we investigate the impact of N N in-medium modifications on neutrino-nucleus cross section predictions using the GiBUU transport model. We find that including an in-medium lowering of the N N cross section and density dependence on Δ excitation improves agreement with MicroBooNE neutrino-argon scattering data. This is observed for both proton and neutral pion spectra in charged-current muon neutrino and neutral-current single pion production data sets. The impact of collision broadening of the Δ resonance is also investigated. The absence of Δ broadening is slightly favored, but the larger uncertainties on the pion production data prevent definitive conclusions. Published by the American Physical Society 2024

Bogart, B. (ORCID:0000000305588934)↗
DOE OSTI2025

Nuclear-level effective theory of 𝜇 → 𝑒 conversion: Inelastic process

Mu2e and COMET will search for electrons produced via the neutrinoless conversion of stopped muons bound in 1s atomic orbits of 27 Al, improving existing limits on charged lepton flavor violation (CLFV) by roughly four orders of magnitude. Conventionally, 𝜇 → 𝑒 conversion experiments are optimized to detect electrons originating from transitions where the nucleus remains in the ground state, thereby maximizing the energy of the outgoing electron. Clearly, detection of a positive signal in forthcoming experiments would stimulate additional work—including subsequent conversion experiments using complementary nuclear targets—to further constrain the new physics responsible for CLFV. Here we argue that additional information can be extracted without the need for additional experiments, by considering inelastic conversion in 27 Al. Transitions to low-lying nuclear excited states can modify the near-endpoint spectrum of conversion electrons, with the ratio of the elastic and inelastic responses being sensitive to the underlying CLFV operator. We extend the nuclear effective theory of 𝜇 → 𝑒 conversion to the inelastic case, which adds five new response functions to the six that arise for the elastic process. We evaluate these nuclear response functions in 27 Al and calculate the resulting conversion-electron signal, taking into account the resolution anticipated in Mu2e/COMET. We find that 27 Al is an excellent target choice from the perspective of the new information that can be obtained from inelastic 𝜇 → 𝑒 conversion.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Calorimetry for low-energy electrons using charge and light in liquid argon

Precise calorimetric reconstruction of 5–50 MeV electrons in liquid argon time projection chambers (LArTPCs) will enable the study of astrophysical neutrinos in DUNE and could enhance the physics reach of oscillation analyses. Liquid argon scintillation light has the potential to improve energy reconstruction for low-energy electrons over charge-based measurements alone. Here we demonstrate light-augmented calorimetry for low-energy electrons in a single-phase LArTPC using a sample of Michel electrons from decays of stopping cosmic muons in the LArIAT experiment at Fermilab. Michel electron energy spectra are reconstructed using both a traditional charge-based approach as well as a more holistic approach that incorporates both charge and light. A maximum-likelihood fitter, using LArIAT’s well-tuned simulation, is developed for combining these quantities to achieve optimal energy resolution. A sample of isolated electrons is simulated to better determine the energy resolution expected for astrophysical electron-neutrino charged-current interaction final states. In LArIAT, which has very low wire noise and an average light yield of 18 pe/MeV, an energy resolution of σ/E≃9.3%/E⊕1.3% is achieved. Samples are then generated with varying wire noise levels and light yields to gauge the impact of light-augmented calorimetry in larger LArTPCs. At a charge-readout signal-to-noise of S/N≃30, for example, the energy resolution for electrons below 40 MeV is improved by ≈10%, ≈20%, and ≈40% over charge-only calorimetry for average light yields of 10 pe/MeV, 20 pe/MeV, and 100 pe/MeV, respectively.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Higgs troika for baryon asymmetry

To explain the baryon asymmetry of the Universe, we extend the Standard Model (SM) with two additional Higgs doublets with small vacuum expectation values. The additional Higgs fields interact with SM fermions through complex Yukawa couplings, leading to new sources of $CP$ violation. We propose a simple flavor model with $\mathcal{O}$(1) or less Yukawa couplings for quarks and charged leptons, consistent with current flavor constraints. To generate neutrino masses and the baryon asymmetry, right-handed neutrinos in the ~ 0.1 - 10 TeV range couple to the "Higgs Troika." The new Higgs doublet masses are at or above the TeV scale, allowing for asymmetric decays into SM lepton doublets and right-handed neutrinos. The asymmetry in lepton doublets is then processed into a baryon asymmetry, similar to leptogenesis. Since the masses of the new fields could be near the TeV scale, there is potentially a rich high energy collider phenomenology, including observable deviations in the 125 GeV Higgs decay into muons and taus, as well as detectable low energy signals such as the electron EDM or $µ → eγ$. Hence, this is in principle a testable model for generation of baryon asymmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Borexino and general neutrino interactions

We derive constraints on all possible general neutrino-electron interactions (scalar, vector, pseudo-scalar, axial-vector and tensor) using the recent real time Borexino event rate measurements of pp, pep and Be7 solar neutrinos. Some of the limits improve from TEXONO and CHARM-II for incoming electron and muon neutrinos while the rest remains weaker for Borexino and those for the tau flavor are the first ones. Future improvements by next-generation solar neutrino experiments are also studied. The limits extend the physics reach of solar neutrino measurements to TeV-scale physics. Finally, the different properties of the new interactions for Dirac and Majorana neutrinos are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗