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DOE OSTI2026

Conventional superconductivity in single-crystalline BiPt

Binary Bi-Pd/Pt systems have attracted a lot of interest because of their topologically nontrivial nature along with superconductivity. We report the structural and superconducting properties of high-quality single-crystalline BiPt using a comprehensive range of experimental techniques, including X-ray diffraction, electron microscopy, muon spin rotation/relaxation (𝜇⁢SR), magnetization, resistivity, and heat capacity. Our findings establish that BiPt is a weak type-II superconductor with a transition temperature (𝑇 𝑐 ) of 1.2 K which exhibits pronounced anisotropic superconducting characteristics attributed to its hexagonal crystal structure. Magnetization and electronic transport studies reveal that BiPt lies within the dirty limit, while 𝜇⁢SR and heat capacity data indicate conventional 𝑠-wave superconductivity that maintains time-reversal symmetry. Here, this work provides valuable insights into the pairing symmetry and superconducting mechanism of topologically trivial BiPt, a sound comparison system for other Bi-based topologically nontrivial superconductors.

Demagnetization↗

DOE OSTI2025

Dipolar and quadrupolar correlations in the 5⁢𝑑 2 Re-based double perovskites Ba 2 ⁢ YReO 6 and Ba 2 ⁢ ScReO 6

Double perovskites containing heavy transition-metal ions are an important family of compounds for the study of the interplay between electron correlation and spin-orbit coupling. Here, by combining magnetic susceptibility, heat capacity, and neutron scattering measurements, we investigate the dipolar and quadrupolar correlations in two prototypal rhenium-based double perovskite compounds Ba 2 ⁢YReO 6 and Ba 2 ⁢ ScReO 6 . A type-I dipolar antiferromagnetic ground state with a propagation vector 𝐪 = (0,0,1) is observed in both compounds. At temperatures above the magnetic transitions, a quadrupolar ordered phase is identified. Weak spin excitations, which are gapped at low temperatures and softened in the correlated paramagnetic phase, are explained using a minimal model that considers both the dipolar and quadrupolar interactions. In conclusion, at larger wave vectors, we observe dominant phonon excitations that are well described by density functional calculations.

Omar, Otkur [University of Science and Technology ↗

DOE OSTI2020

Bogoliubov Fermi surfaces in spin-$\frac{1}{2}$ systems: Model Hamiltonians and experimental consequences

Bogoliubov Fermi surfaces (BFSs) are topologically protected regions of zero energy excitations in a superconductor whose dimension equals that of the underlying normal state Fermi surface. Examples of Hamiltonians exhibiting this “ultranodal” phase are known to preserve charge-conjugation ($\textit{C}$) and parity ($\textit{P}$) but break time-reversal ($\textit{T}$). In this work, we provide examples of model Hamiltonians that do not necessarily preserve this symmetry pattern but have well-defined sign-changing Pfaffians yielding BFSs. While their topological character has not been recognized previously, some of the models we present have been extensively studied in prior literature. Here, we further examine thermodynamic and electronic properties arising from the ultranodal state. In particular, we study the effect of a weak Zeeman field close to the topological transition and propose distinguishing features of BFSs using residual specific heat and tunneling conductance. Our calculation of the superfluid density in a toy multiband model indicates a window of interband pairing strength where BFSs are stable with a positive superfluid density. We also present additional signatures of BFSs in spin-polarized spectral weight and total magnetization measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Magnetic bulk photovoltaic effect: Strong and weak field

Shift current and ballistic current have been proposed to explain the bulk photovoltaic effect (BPVE), and there have been experiments designed to separate the two mechanisms. These experiments are based on the assumption that under magnetic field, ballistic current can have a Hall effect while the shift current cannot, which is from some energy-scale arguments and has never been proven. A recent work [D. Hornung and R. von Baltz, Phys. Rev. B 103, 195203 (2021)] using quantum transport formalism achieves a conclusion that shift current indeed has a Hall current, seemingly contradicting the previous assumption and making the situation more confusing. Moreover, the behavior of BPVE under strong magnetic field is still unexplored. In this Letter, using a minimal two-dimensional tight-binding model, we carry out a systematic numerical study of the BPVE under weak and strong magnetic field by treating the field in a nonperturbative way. Further, our model clearly shows the appearance of the magnetically induced ballistic current along the transverse direction, which agrees with the previous predictions, and interestingly a sizable longitudinal response of the shift current is also observed, a phenomenon that is not captured by any existing theories where the magnetic field is treated perturbatively. More surprisingly, drastically different shift current is found in the strong-field regime, and the evolution from weak to strong field resembles a phase transition. We hope that our work could resolve the debate over the behavior of BPVE under magnetic field, and the strong-field behavior of shift current is expected to inspire more studies on the relation between nonlinear optics and quantum geometry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Magnetic properties of the double trillium lattice antiferromagnet KBaCr 2 ⁢(PO 4 ) 3

Trillium lattices formed by corner-shared triangular units are the platform for magnetic frustration in three dimensions. Herein, we report structural and magnetic properties of the Cr-based (S = 3/2) double trillium lattice material KBaCr 2 ⁢(PO 4 ) 3 studied by x-ray diffraction, dc and ac magnetization, heat capacity, thermal conductivity, and 31 P nuclear magnetic resonance (NMR) measurements complemented by density-functional band-structure calculations. Magnetization, heat capacity, and 31 P NMR measurements reveal the magnetic transition at T N⁢1 ≃ 12.5 K in zero field followed by another transition (T N⁢2 ) at low temperatures in weak applied fields. The 31 P spin-lattice relaxation rate in the ordered state follows the T 3 behavior indicative of the two-magnon Raman process. Finally, the spin lattice of KBaCr 2 ⁢(PO 4 ) 3 comprises two crystallographically nonequivalent ferromagnetic sublattices that are coupled antiferromagnetically, thus eliminating frustration in this trillium network and leading to weak ferromagnetism in the vicinity of T N⁢1 .

36 MATERIALS SCIENCE↗

DOE OSTI2022

Synthesis and Physical Properties of NbMnP Single Crystals

Single crystalline NbMnP was grown by the high-temperature solution growth technique and characterized by room temperature X-ray diffraction, temperature- and field-dependent magnetization, temperature-dependent resistivity, and heat capacity measurements. NbMnP is isostructural to TiNiSi with the space group of Pnma. Physical characterizations suggest that NbMnP is metallic and goes through an anti-ferromagnet transition at around 230 K with a weak magnetic anisotropy. A small ferromagnetic component is found to be perpendicular to [010].

Zhao, Jianda↗

NASA NTRS1981

Spectroscopy of the extreme ultraviolet dayglow during active solar conditions

The spectral characteristics of the mid-latitude daytime airglow observed between 530 and 1500 A under conditions of high solar activity are compared with those obtained at the same location during markedly lower solar activity. The spectral observations were made by two scanning spectrometers and an N2 3371 A photometer carried aboard Astrobee-F rockets launched from White Sands Missile Range, NM, on January 9, 1978 and June 27, 1980. The more recent data allow the partial resolution of the emission spectrum between 800 and 1200 A into a large number of weak N I, O I and N2 transitions. Data taken at 220 km altitude suggest an increase in atomic nitrogen density of more than a factor of 3 between the two observations, along with a doubling of the solar EUV flux at wavelengths less than 688 A. No evidence of a corresponding increase in the 10 to 50 eV photoelectron flux is found, however, an ionospheric sounding data indicate the peak electron density to have decreased during this period. The mechanism for this electron flux decrease in the face of increased EUV flux and only a three-fold increase in N concentration remains unknown.

Gentieu, E. P.↗

NASA NTRS1985

Radial diffusion in magnetodiscs

The orbits of charged particles in magnetodiscs are considered. The bounce motion is assumed adiabatic except for transits of a small equatorial region of weak magnetic field strength and high field curvature. Previous theory and modeling have shown that particles scatter randomly in pitch angle with each passage through the equator. A peaked distribution thus diffuses in pitch angle on the time scale of many bounces. It is argued in this paper that spatial diffusion is a further consequence when the magnetodisc has a longitudinal asymmetry. A general expression for DLL, the diffusion of equatorial crossing radii, is derived. DLL is evaluated explicitly for ions in Jupiter's 20-35 radii magnetodisc, assumed to be represented by Connerney et al.'s (1982) Voyager model plus a small image dipole asymmetry. Rates are energy, species, and space dependent but can average as much as a few tenths of a planetary radius per bounce period.

Birmingham, T. J.↗

NASA NTRS1985

The lower electronic states of ClOO - A computational investigation

Eight doublet and eight quartet states of ClOO were investigated by ab initio CI techniques. The potential energy surfaces of the four lowest energy doublet states of both A-double-prime and A-prime symmetry indicate that only the 1 2A-double-prime state is bound. In contrast to the model provided by the HO2 radical, all of the excited doublet states investigated were repulsive with respect to dissociation to Cl + O2 and metastable or bound with respect to dissociation to ClO + O. The transitions to the excited states investigated span the visible and near UV spectral regions, but the transition moments indicate that they are very weak. Since the photolysis products are the same as those of the rapid thermal dissociation, photolysis is not expected to be an important atmospheric process. The soft bending potential for the 1 2A-prime state and the shape of the 1 4A-double-prime state in the entrance channel of the ClO + O yields Cl + O2 reaction provide a qualitative explanation for the underprediction of the low temperature reaction rate by previous trajectory calculations.

Jafri, J. A.↗

NASA NTRS1986

SiO and H2O maser emission in OH/IR objects and late-type variable stars

A four-year search for 86-GHz SiO and H2O maser emission towards about 20 unidentified OH/IR objects and about 35 optically identified variable stars has yielded information on the temporal variations of many of these sources. The SiO maser emission is noted to behave differently in OH/IR objects as compared with Mira variables. An attempt is made to explain the appearance of strong masers in both vibrational states solely at the 43 GHz transition, under the assumption that an intrinsically weak pump mechanism generates weak (v=1, J=2-1) emission.

Nyman, L.-A.↗

NASA NTRS1991

The dust enshrouded quasar in the ultraluminous galaxy Markarian 463 - Radio, near-infrared, and optical imaging

New imaging data are presented at radio, near-infrared, and optical wavelengths to elucidate the processes associated with the ongoing merger and nuclear activity in Mrk 463. Imaging at 20 cm reveals previously unknown components 4 arcsec north and 18 arcsec south of Mrk 463E, and a source 10 arcsec to the northwest which is believed to be linked to the nuclear region. The western nucleus, Mrk 463W, was detected at 6 and 20 cm; it has a radio luminosity comparable to that of a moderately luminous Seyfert galaxy or a highly luminous starburst galaxy. Near-infrared images at wavelengths less than 2.3 microns show the two nuclei; only Mrk 463E has been detected at 3.7 microns. Brightness profiles of Mrk 463E are unresolved at K and L-prime, but extended at J. It is inferred from the fact that radio continuum components 4-18 kpc from the nucleus are aligned with previously known 0.05-1.5 kpc radio structure and extended conical O-III forbidden omission lines that Mrk 463E is powering weak radio lobes and therefore exemplifies a transition between the confined linear sources in Seyfert galaxies and the extended lobes in classical quasars and radio galaxies.

Mazzarella, J. M.↗

NASA NTRS1981

Structure and screening in molecular and metallic hydrogen at high pressure

A variational wavefunction is used to express the (spin restricted) Hartree-Fock energy as reciprocal lattice sums for static lattice FCC monatomic hydrogen and diatomic Pa3 molecular hydrogen. In the monatomic phase the hydrogenic orbital range closely parallels the inverse Thomas-Fermi wavevector; the corresponding energy E has a minimum of -0.929 Ryd/electron at r sub s = 1.67. For the diatomic phase E(r sub s) is similar, but the constituent energies, screening, and bond length reflect a qualitative change in the nature of the solid at r sub s = 2.8. This change is interpreted in terms of a transition from protons as structural units (at high density) to weakly interacting models (at low density). Insensitivity of the total energy to a rapid fall in the bond length suggests association with the rotational transition where the rapid molecular orientations characteristic of high pressures disappear and the molecules rotate freely at low pressure.

Wood, D. M.↗

NASA NTRS1984

Nucleation of (He-3)-B from the A phase - A cosmic-ray effect?

When He-3 is liquified and subsequently cooled, it undergoes, at a temperature of approximately 2.0-2.5 mK, a second-order transition into the so-called A phase. On further cooling, a first-order transition occurs, and the liquid passes into the B phase. Supercooling occurs with respect to the second transition, and the problem of nucleation arises. In connection with the experimental interest in studying metastable (He-3)-A down to the lowest temperatures in weak magnetic fields, the understanding of the mechanism of this transition and the feasibility of its inhibition is of some importance. The present investigation is concerned with the possibility that the transition is nucleated by the passage of a cosmic ray through the sample cell.

Leggett, A. J.↗

DOE OSTI2020

Electronic band contraction induced low temperature methane activation on metal alloys

The catalytic conversion of methane under mild conditions is an appealing approach to selectively produce value-added products from natural gas. Catalysts which can chemisorb methane can potentially overcome challenges associated with its high stability and achieve facile activation. Although transition metals can activate C–H bonds, chemisorption and low-temperature conversion remain elusive on these surfaces. The broad electronic bands of metals can only weakly interact with the methane orbitals, in contrast to specific transition metal oxide and supported metal cluster surfaces which are now recognized to form methane σ-complexes. Here, we report methane chemisorption can, remarkably, occur on metal surfaces via electronic band contraction and localization from metal alloying. From a broad screening including single atom and intermetallic alloys in various substrates, we find early transition metals as promising metal solutes for methane chemisorption and low-temperature activation. These findings demonstrate a combinatorial diversity of possible candidates in earth abundant metal alloys with this attractive catalytic behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2020

Direct Numerical Simulation of Fog Formation Within the Surface Layer

We investigate the effects of shear-driven turbulence on fog formation in the stably stratified surface layer, using recent direct numerical simulations (DNS) of dry and moist open-channel flows. A constant cooling rate applied at the ground mimics longwave radiative cooling, leading to either turbulent (weakly stable) or laminar (very stable) flows. The transition of the Obukhov, Ozmidov and buoyancy length scales are investigated for different cooling rates and Reynolds numbers. Compared to the dry case, the condensation of liquid water in the moist case supports slightly higher cooling rates before leading to turbulence collapse. In the very stable moist cases, runaway cooling leads to substantial condensation of liquid water close to the ground and fog (visibility less than 1 km) results over much of the domain. In the weakly stable cases, turbulent mixing narrowly yields visibilities of 1 km close to the ground over a similar time period. Despite the idealised nature of the system, the present results suggest that turbulence impedes, although will not necessarily inhibit, fog formation.

Teixeira, Joao↗

DOE OSTI2022

Probing Temperature‐Induced Phase Transitions at Individual Ferroelectric Domain Walls

Abstract Ferroelectric domain walls have emerged as one of the most fascinating objects in condensed matter physics due to the broad variability of functional behaviors they exhibit. However, the vast majority of domain walls studies have been focused on bias‐induced dynamics and transport behaviors. Here, the scanning probe microscopy approach based on piezoresponse force microscopy (PFM) with a dynamically heated probe, combining local heating and local biasing of the material is introduced. This approach is used to explore the thermal polarization dynamics in soft Sn 2 P 2 S 6 ferroelectrics, and allows for the exploration of phase transitions at individual domain walls. The strong and weak modulation regimes for the thermal PFM are introduced. The future potential applications of heated probe approach for functional SPM measurements including piezoelectric, elastic, microwave, and transport measurements are discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Spinon continuum in the Heisenberg quantum chain compound Sr 2 ⁢V 3 ⁢O 9

Magnetic excitations in the spin chain candidate Sr 2 ⁢V 3 ⁢O 9 have been investigated by inelastic neutron scattering on a single crystal sample. A spinon continuum with a bandwidth of ~22 meV is observed along the chain formed by alternating magnetic V 4+ and nonmagnetic V 5+ ions, which reveals the importance of the orbital degree of freedom in determining the chain axis as identified by prior electronic structure calculations. Incipient magnetic Bragg peaks due to weak ferromagnetic interchain couplings emerge when approaching the magnetic transition at T N ~ 5.3 K, while the excitations remain gapless within the instrumental resolution. Comparisons to the Bethe ansatz, density matrix renormalization group calculations, and effective field theories confirm Sr 2 ⁢V 3 ⁢O 9 as a host of weakly coupled S = 1/2 chains dominated by antiferromagnetic intrachain interactions of ~7.1(1) meV.

1-dimensional spin chains↗

NASA NTRS1989

Investigation of CAST-10-2/DOA 2 airfoil in NAE high Reynolds number two-dimensional test facility

A common airfoil model with the CAST 10-2/DOA-2 profile and 228 mm (9 inches) chord length was tested. The tests performed in NAE covered the Mach numbers from 0.3 to 0.8 and Reynolds numbers from 10 to 30 million. The model was tested with transition free and with transition fixed at 5 percent chord for both the upper and the lower surfaces. The data obtained were analyzed for the effects of Reynolds number, transition fixing and Mach number. The role of the boundary layer on the displacement effect, the interaction with the shock wave and the trailing edge separation are examined. The results are summarized as follows: (1) the airfoil performance depends strongly on Reynolds number and transition fixing; (2) with transition fixed, the aerodynamic quantities such as lift, pitching moment and drag show a monotonic variation with Reynolds number; (3) with transition free, the aerodynamic quantities vary less regularly with Reynolds number and a slight parametric dependency is shown. The weak dependency is due to the compensatory effect of the forward shift of the transition position and the thinning of the turbulent boundary layer as Reynolds number increases; (4) the shock Mach number and the shock position are weakly dependent on Reynolds number; and (5) the long extent of the laminar boundary layer at transonic speeds reduces the drag appreciably at low Reynolds numbers. The drag bucket around the design Mach number can be observed below Reynolds number 15 million.

Chan, Y. Y.↗