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DOE OSTI2021

Higher-rank tensor field theory of non-abelian fracton and embeddon

We formulate a new class of tensor gauge field theories in any dimension that is a hybrid class between symmetric higher-rank tensor gauge theory (i.e., higher-spin gauge theory) and anti-symmetric tensor topological field theory. Our theory describes a mixed unitary phase interplaying between gapless and gapped topological order phases (which can live with or without Euclidean, Poincaré, or anisotropic symmetry, at least in ultraviolet high or intermediate energy field theory, but not yet to a lattice cutoff scale). The “gauge structure” can be compact, continuous, abelian or non-abelian. Our theory sits outside the paradigm of Maxwell electromagnetic theory in 1865 and Yang–Mills isospin/color theory in 1954. We discuss its local gauge transformation in terms of the ungauged vector-like or tensor-like higher-moment global symmetry. The non-abelian gauge structure is caused by gauging the non-commutative symmetries: a higher-moment symmetry and a charge conjugation (particle–hole) symmetry. Vector global symmetries along time direction may exhibit time crystals. We explore the relation of these long-range entangled matters to a non-abelian generalization of Fracton order in condensed matter, a field theory formulation of foliation, the spacetime embedding and Embeddon that we newly introduce, and possible fundamental physics applications to dark matter or dark energy.

36 MATERIALS SCIENCE↗

DOE OSTI2021

A new spin on the Weak Gravity Conjecture

The mild form of the Weak Gravity Conjecture states that quantum or higher-derivative corrections should decrease the mass of large extremal charged black holes at fixed charge. This allows extremal black holes to decay, unless protected by a symmetry (such as supersymmetry). We reformulate this conjecture as an integrated condition on the effective stress tensor capturing the effect of quantum or higher-derivative corrections. In addition to charged black holes, we also consider rotating BTZ black holes and show that this condition is satisfied as a consequence of the $\textit{c}$-theorem, proving a spinning version of the Weak Gravity Conjecture. We also apply our results to a five-dimensional boosted black string with higher-derivative corrections. The boosted black string has a BTZ×$S^2$ near-horizon geometry and, after Kaluza-Klein reduction, describes a four-dimensional charged black hole. Combining the spinning and charged Weak Gravity Conjecture we obtain positivity bounds on the five-dimensional Wilson coefficients that are stronger than those obtained from charged black holes alone.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Electronic structure of a nodal line semimetal candidate TbSbTe

The 𝐿⁢𝑛⁢SbTe (𝐿⁢𝑛 = Lanthanides) family, like isostructural ZrSiS-type compounds, has emerged as a fertile playground for exploring the interaction of electronic correlations and magnetic ordering with the nodal line band topology. Here, we report on a detailed electronic band structure investigation of TbSbTe, corroborated by electrical transport, thermodynamic, and magnetic studies. Temperature-dependent magnetic susceptibility and thermodynamic transport studies indicate the onset of antiferromagnetic ordering below 𝑇 𝑁 ∼ 5.8K. The electronic band structure study, carried out with high-resolution angle-resolved photoemission spectroscopy measurements aided with density functional theory–based first-principles calculations reveal presence of a nonsymmorphic symmetry-protected Dirac crossing in the Γ-X high-symmetry (HS) direction, which is part of a nodal line along the X-R HS direction. Another Dirac crossing occurs along the Γ-X direction at a relatively higher binding energy, which occurs from $\tilde{𝒞}$ 2⁢𝜈⁢ 𝒫 symmetry which is gapped in the theoretical calculations with the effect of spin-orbit coupling considered. Parallel to this direction, our theoretical calculations and experimental results exhibit strongly momentum-dependent surface bands. In this study, we open an avenue to further uncover the intricate interplay among symmetry-protected topological band structure, spin-orbit coupling, and magnetism in this material and the 𝐿⁢𝑛⁢SbTe family, in general.

Angle-resolved photoemission spectroscopy↗

DOE OSTI2026

Compressive strain turns 𝑠 ± - into 𝑑-wave pairing in a one-unit-cell La 3 ⁢Ni 2 ⁢O 7 thin film via substrate-induced hole doping

Motivated by recent reports of ambient-pressure superconductivity in La 3 ⁢Ni 2⁢ O 7 films grown on LaSrAlO 4 , we investigate the superconducting instability in a one-unit-cell (1UC) thin film using ab initio and random-phase approximation techniques. Compared to the high-pressure bulk system, the ratio of interlayer 𝑑 3⁢𝑧 2 −𝑟 2 hopping to intralayer 𝑑 𝑥 2 −𝑦 2 hopping is suppressed in the 1UC thin film, and the crystal-field splitting of the 𝑒 𝑔 orbitals is increased. Here, our calculation indicates that spin-fluctuation-driven pairing correlations are weak for the stoichiometric case at ambient pressure, but increase significantly under hole doping. The leading pairing symmetry is also found to change by hole doping. Specifically, we obtain a leading 𝑑 𝑥 2 −𝑦 2 pairing state at moderate hole doping, followed by a 𝑑 𝑥⁢𝑦 state at higher doping. These states are driven by intraband spin-fluctuation scattering within the 𝛾 hole pocket centered around the 𝑀 point, and arise primarily from states in the Ni layer farther from the substrate. These results strongly suggest that the thin-film superconducting samples are hole-doped and that pairing in this system predominantly arises in the layer, as opposed to the interlayer pairing in the pressurized bulk system.

Zhang, Yang [Oak Ridge National Laboratory (ORNL),↗

DOE OSTI2023

A theory for colors of strongly correlated electronic systems

Many strongly correlated transition metal insulators are colored, even though they have band gaps much larger than the highest energy photons from the visible light. An adequate explanation for the color requires a theoretical approach able to compute subgap excitons in periodic crystals, reliably and without free parameters—a formidable challenge. The literature often fails to disentangle two important factors: what makes excitons form and what makes them optically bright. We pick two archetypal cases as examples: NiO with green color and MnF 2 with pink color, and employ two kinds of ab initio many body Green’s function theories; the first, a perturbative theory based on low-order extensions of the $GW$ approximation, is able to explain the color in NiO, while the same theory is unable to explain why MnF 2 is pink. We show its color originates from higher order spin-flip transitions that modify the optical response, which is contained in dynamical mean-field theory (DMFT). We show that symmetry lowering mechanisms may determine how ‘bright’ these excitons are, but they are not fundamental to their existence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Parallel pumping of magnons in inhomogeneous spin textures probed through NV spin relaxometry

We combine micromagnetic simulations and nitrogen-vacancy (NV) defect center spin relaxometry measurements to study magnon modes in inhomogeneous spin textures. A thin, micrometer-scale ferromagnetic disk is magnetized in a vortex state in which the magnetization curls around a central core. Micromagnetic simulations show that at zero applied field, the magnetization dynamics of the disk consist of a low frequency gyrotropic mode and higher frequency azimuthal magnon modes, all far detuned from the NV spin transition frequencies. An in-plane static magnetic field breaks the azimuthal symmetry of the vortex state, resulting in the magnon modes transforming in frequency and spatial profile as the field increases. Experimentally, we probe the dynamics of vortex magnetization as a function of applied in-plane static field and ac driving frequency by optically monitoring a nearby NV defect center spin. At certain values of the applied magnetic field, we observe enhanced spin relaxation when driving at twice the frequency of the NV ground state spin transition in optically detected magnetic resonance measurements. We attribute this effect to parallel pumping of a magnon mode in the disk producing magnons at half the excitation frequency. Micromagnetic simulations support this finding, showing spatial and spectral overlap of a confined magnon mode and an NV spin transition, with sufficient interaction strength to explain the observed signal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1993

The occultation of 28 Sgr by Titan

We present a comprehensive analysis of data obtained during the 1989 July 3 occultation of 28 Sgr by Titan. The data set includes 23 lightcurves from 15 separate stations, spanning wavelengths from 0.36 to 0.89 micron. A detailed model of the structure of Titan's atmosphere in the altitude range 250 to 450 km is developed, giving the distribution of temperature, pressure, haze optical depth, and zonal wind velocity as a function of altitude and latitude. Haze layers detected in Titan's stratosphere are about one scale height higher than inferred from Voyager data, and show a wavelength dependence indicative of particle sizes on the order of 0.1 micron. A marked north-south dichotomy in haze density is observed with a transition to lower density south of about -20 deg latitude. Zonal wind speeds are inferred from global distortions from spherical symmetry and are of the order of 100 m/s with significant increase toward higher latitudes. Titan's high atmosphere shows substantial axial symmetry; the position angle of the symmetry axis is equal to the position angle of Saturn's spin axis to within about 1 deg.

Hubbard, W. B.↗

DOE OSTI2020

Engineering Corner States from Two-Dimensional Topological Insulators

We theoretically demonstrate that the second-order topological insulator with robust corner states can be realized in two-dimensional $\mathbb{Z}_2$ topological insulators by applying an in-plane Zeeman field. The Zeeman field breaks the time-reversal symmetry and thus destroys the $\mathbb{Z}_2$ topological phase. Nevertheless, it respects some crystalline symmetries and thus can protect the higher-order topological phase. By taking the Kane-Mele model as a concrete example, we find that spin-helical edge states along zigzag boundaries are gapped out by the Zeeman field whereas the in-gap corner state at the intersection between two zigzag edges arises, which is independent of the field orientation. In this work, we further show that the corner states are robust against the out-of-plane Zeeman field, staggered sublattice potentials, Rashba spin-orbit coupling, and the buckling of honeycomb lattices, making them experimentally feasible. Similar behaviors can also be found in the well-known Bernevig-Hughes-Zhang model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Generation and control of nonlocal chiral currents in graphene superlattices by orbital Hall effect

Graphene-based superlattices offer a unique materials playground to exploit and control a higher number of electronic degrees of freedom, such as charge, spin, or valley for disruptive technologies. Recently, orbital effects, emerging in multivalley band structures lacking inversion symmetry, have been discussed as possible mechanisms for developing . Here, we report nonlocal transport measurements in small gap hBN/graphene/hBN moiré superlattices which reveal very strong magnetic field-induced chiral response which is stable up to sizable temperatures. The measured sign dependence of the nonlocal signal with respect to the magnetic field orientation clearly indicates the manifestation of emerging orbital magnetic moments. The interpretation of experimental data is well supported by numerical simulations, and the reported phenomenon stands as a formidable way of manipulation of the transverse flow of orbital information that could enable the design of orbitronic devices. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1972

Electric dipole moment of diatomic molecules by configuration interaction. V - Two states of /2/Sigma/+/ symmetry in CN.

Previous accurate dipole moment calculation techniques are modified to be applicable to higher excited states of symmetry. The self-consistent fields and configuration interactions are calculated for the X(2)Sigma(+) and B(2)Sigma(+) states of CN. Spin hyperfine constants and spin density at the nucleus are considered in the context of one-electron operator properties. The values of the self-consistent field and configuration interaction for the spin density are compared with experimental values for several diatomic molecules.

Green, S.↗

DOE OSTI2023

Entanglement maximization in low-energy neutron-proton scattering

The entanglement properties of neutron-proton scattering are investigated using a measure that counts the number of entangled pairs produced by the action of a scattering operator on a given initial neutron-proton state. All phase shifts relevant for scattering at laboratory energies up to 350 MeV are used. Entanglement is found to depend strongly on the initial state. Entanglement is maximized in very low energy scattering if the initial spin state is | ↑ ↓ >, but not if the initial state is | ↑ ↑ > . At such energies the Hamiltonian obeys Wigner SU(4) symmetry, and an entanglement maximum is a sign of that symmetry. At higher energies the angular dependence of entanglement is strong and the entanglement is large for many scattering angles. Furthermore, the tensor force is shown to play a significant role in producing entanglement at laboratory kinetic energies greater than about 50 MeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Scattering in black hole backgrounds and higher-spin amplitudes. Part II

We continue to investigate correspondences between, on the one hand, scattering amplitudes for massive higher-spin particles and gravitons in appropriate quantum-to-classical limits, and on the other hand, classical gravitational interactions of spinning black holes according to general relativity. We first construct an ansatz for a gravitational Compton amplitude, at tree level, constrained only by locality, crossing symmetry, unitarity and consistency with the linearized-Kerr 3-point amplitude, to all orders in the black hole’s spin. We then explore the extent to which a unique classical Compton amplitude can be identified by comparing with the results of the classical process of scattering long-wavelength gravitational waves off an exact Kerr black hole, determined by appropriate solutions of the Teukolsky equation. Up to fourth order in spin, we find complete agreement with a previously conjectured exponential form of the tree-level Compton amplitude. At higher orders, we extract tree-level contributions from the Teukolsky amplitude by an analytic continuation from a physical (a/GM < 1) to a particle-like (a/GM > 1) regime. Up to the sixth order in spin, we identify a unique conservative part of the amplitude which is insensitive both to the choice of boundary conditions at the black hole horizon and to branch choices in the analytic continuation. The remainder of the amplitude is determined modulo an overall sign from a branch choice, with the sign flipping under exchanging purely ingoing and purely outgoing boundary conditions at the horizon. Along the way, we make contact with novel applications of massive spinor-helicity variables pertaining to their relation to EFT operators and (spinning) partial amplitudes.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Field-induced spin level crossings within a quasi-$XY$ antiferromagnetic state in $Ba$ 2 $FeSi$ 2 $O$ 7

Here, we present a high-field study of the strongly anisotropic easy-plane square lattice $S$ = 2 quantum magnet $Ba$ 2 $FeSi$ 2 $O$ 7 . This compound is a rare high-spin antiferromagnetic system with very strong easy-plane anisotropy, such that the interplay between spin level crossings and antiferromagnetic order can be studied. We observe a magnetic field-induced spin level crossing occurring within an ordered state. This spin level crossing appears to preserve the magnetic symmetry while producing a nonmonotonic dependence of the order parameter magnitude. The resulting temperature–magnetic field phase diagram exhibits two dome-shaped regions of magnetic order overlapping around 30 T. The ground state of the lower-field dome is predominantly a linear combination of |$S^z$ = 0$\rangle$ and |$S^z$ = 1$\rangle$ states, while the ground state of the higher-field dome can be approximated by a linear combination of |$S^z$ = 1$\rangle$ and |$S^z$ = 2$\rangle$ states. At 30 T, where the spin levels cross, the magnetization exhibits a slanted plateau, the magnetocaloric effect shows a broad hump, and the electric polarization shows a weak slope change. We determined the detailed magnetic phase boundaries and the spin level crossings using measurements of magnetization, electric polarization, and the magnetocaloric effect in pulsed magnetic fields to 60 T. Furthermore, we calculate these properties using a mean-field theory based on direct products of SU(5) coherent states and find good agreement. Finally, we measure and calculate the magnetically induced electric polarization that reflects magnetic ordering and spin level crossings. This multiferroic behavior provides another avenue for detecting phase boundaries and symmetry changes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Impact of Chiral Symmetry Breaking on Spin-Texture and Lone Pair Expression in Chiral Crystals of Hybrid Antimony and Bismuth Halides

Chiral organic building blocks can be incorporated into hybrid organic-inorganic metal-halide crystalline semiconductors so as to control and impact the interconversion between light, charge, and spin. Here, we report a series of hybrid antimony and bismuth halide materials of the general formula MBA 4 B 2 X 10 (B = Sb 3+ , Bi 3+ ; X = Br - , I - ) and study how chiral symmetry breaking imposed by the templating organic chiral methylbenzylammonium (MBA) cations induces symmetry breaking within the inorganic sublattice and leads to a unique spin-texture. The chiral MBA cations introduce two structural modifications to the metal-halide sublattice that consists of isolated edge-sharing dimers of B 2 X 10 octahedra: (1) the dimers have a chiral spatial arrangement with respect to one another and (2) there is an asymmetric distortion of the two subunits within the individual dimers with a higher distortion caused by strong stereochemical activity of the Sb 5s 2 lone pair electrons. The structural distortions and chiral arrangement result in circular dichroism (CD) at the band edge of the inorganic framework with dissymmetry factors in the range of 10 -4 . Chiral spin-splitting of the inorganic states, caused by breaking of the inversion symmetry and large spin-orbit coupling, is studied via density functional theory (DFT), and a multiband effective mass theory was developed that links the DFT-derived spin-splitting of helical character (i.e., spin expectation value not perpendicular to the crystal momentum) to the observed CD. Furthermore, we also find broad red photoluminescence from the MBA 4 Sb 2 Br 10 compounds, which we attribute to self-trapped excitonic emission driven by the large distortion due to the lone pair expression.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

AdS/CFT unitarity at higher loops: high-energy string scattering

What is the space of weakly-coupled, gravitational theories which contain massive, higher-spin particles? This class of theories is highly constrained and it is conjectured their ultraviolet completion must be string theory. We provide more evidence for this conjecture by studying the Regge limit in large N, 4d CFTs with single-trace operators of unbounded spin. We show that in the Regge limit, these theories have bulk scattering amplitudes which are consistent with the string theory prediction to all orders in 1/N for large, but finite, coupling. In the language of Regge theory, we show Pomeron exchange naturally exponentiates in the 1/N expansion. To do this, we solve the bootstrap equations at tree-level and then use the Lorentzian inversion formula to find the one-loop correlator in the Regge limit. This is a unitarity method for AdS/CFT which can be repeated iteratively to make all orders statements. We also explain under what conditions the tree-level result exponentiates in the 1/N expansion at arbitrary coupling. Finally, we comment on further inelastic effects and show they give subleading contributions at large coupling. As a consistency check, we recover results from bulk Einstein gravity in the limit where all higher-spin particles decouple.

1/N Expansion↗

DOE OSTI2021

Spin-liquid behavior of the three-dimensional magnetic system Ba 3 NiIr 2 O 9 with S = 1

The quantum spin liquid (QSL) is an exotic phase of magnetic materials where the spins continue to fluctuate without any symmetry breaking down to zero temperature. Among the handful reports of QSL with spin S ≥ 1, examples with magnetic ions on a three-dimensional (3D) magnetic lattice are extremely rare since both larger spin and higher dimension tend to suppress quantum fluctuations. In this work, we offer a new strategy to achieve 3D QSL with high spin by utilizing two types of transition metal ions; both are magnetically active but located at crystallographically inequivalent positions. Furthermore, we design a 3D magnetic system Ba 3 NiIr 2 O 9 consisting of interconnected corner-shared NiO 6 octahedra and face-shared Ir 2 O 9 dimer, both having triangular arrangements in a-b plane. X-ray absorption spectroscopy measurements confirm the presence of Ni 2+ (S = 1). Furthermore, our detailed thermodynamic and magnetic measurements reveal that this compound is a realization of gapless QSL state down to at least 100 mK. Ab initio calculations find a strong magnetic exchange between Ir and Ni sublattices and in-plane antiferromagnetic coupling between the dimers, resulting in dynamically fluctuating magnetic moments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Quasicrystalline structures and uses thereof

This invention relates generally to the field of quasicrystalline structures. In preferred embodiments, the stopgap structure is more spherically symmetric than periodic structures facilitating the formation of stopgaps in nearly all directions because of higher rotational symmetries. More particularly, the invention relates to the use of quasicrystalline structures for optical, mechanical, electrical and magnetic purposes. In some embodiments, the invention relates to manipulating, controlling, modulating and directing waves including electromagnetic, sound, spin, and surface waves, for pre-selected range of wavelengths propagating in multiple directions.

Steinhardt, Paul Joseph↗

DOE OSTI2023

Quasicrystalline structures and uses thereof

This invention relates generally to the field of quasicrystalline strictures. In preferred embodiments, the stopgap structure is more spherically symmetric than periodic structures facilitating the formation of stopgaps in nearly all directions because of higher rotational symmetries. More particularly, the invention relates to the use of quasicrystalline structures for optical, mechanical, electrical and magnetic purposes. In some embodiments, the invention relates to manipulating, controlling, modulating and directing waves including electromagnetic, sound, spin, and surface waves, for pre-selected range of wavelengths propagating in multiple directions.

Steinhardt, Paul Joseph↗