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DOE OSTI2024

Quantum octets in high mobility pentagonal two-dimensional PdSe 2

Two-dimensional (2D) materials have drawn immense interests in scientific and technological communities, owing to their extraordinary properties and their tunability by gating, proximity, strain and external fields. For electronic applications, an ideal 2D material would have high mobility, air stability, sizable band gap, and be compatible with large scale synthesis. Here we demonstrate air stable field effect transistors using atomically thin few-layer PdSe 2 sheets that are sandwiched between hexagonal BN (hBN), with large saturation current > 350 μA/μm, and high field effect mobilities of ~ 700 and 10,000 cm 2 /Vs at 300 K and 2 K, respectively. At low temperatures, magnetotransport studies reveal unique octets in quantum oscillations that persist at all densities, arising from 2-fold spin and 4-fold valley degeneracies, which can be broken by in-plane and out-of-plane magnetic fields toward quantum Hall spin and orbital ferromagnetism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

From trivial to topological paramagnets: The case of Z 2 and Z 2 3 symmetries in two dimensions

Using quantum Monte Carlo simulations, we map out the phase diagram of Hamiltonians interpolating between trivial and nontrivial bosonic symmetry-protected topological phases, protected by Z 2 and Z 2 3 symmetries, in two dimensions. In all cases, we find that the trivial and the topological phases are separated by an intermediate phase in which the protecting symmetry is spontaneously broken. Depending on the model, we identify a variety of magnetic orders on the triangular lattice, including ferromagnetism, 3 × 3 order, and stripe orders (both commensurate and incommensurate). Critical properties are determined through a finite-size scaling analysis. Possible scenarios regarding the nature of the phase transitions are discussed.

2-dimensional systems↗

DOE OSTI2021

Dynamical vertex approximation for many-electron systems with spontaneously broken SU(2) symmetry

We generalize the formalism of the dynamical vertex approximation (DΓA)—a diagrammatic extension of the dynamical mean-field theory (DMFT)—to treat magnetically ordered phases. To this aim, we start by concisely illustrating the many-electron formalism for performing ladder resummations of Feynman diagrams in systems with broken SU(2) symmetry associated to ferromagnetic (FM) or antiferromagnetic (AF) order. We then analyze the algorithmic simplifications introduced by taking the local approximation of the two-particle irreducible vertex functions in the Bethe-Salpeter equations, which defines the ladder implementation of DΓA for magnetic systems. The relation of this assumption with the DMFT limit of large coordination-number/high dimensions is explicitly discussed. As a last step, we derive the expression for the ladder DΓA self-energy in the FM- and AF-ordered phases of the Hubbard model. The physics emerging in the AF-ordered case is explicitly illustrated by means of approximated calculations based on a static mean-field input for DΓA equations. The results obtained capture fundamental aspects of both metallic and insulating ground states of two-dimensional antiferromagnets, providing a reliable compass for future, more extensive applications of our approach. Furthermore, possible routes to further develop diagrammatic-based treatments of magnetic phases in correlated electron systems are briefly outlined in the Conclusions.

2-dimensional systems↗

DOE OSTI2026

Tunable symmetry breaking in a hexagonal-stacked moiré magnet

Symmetry plays a central role in defining magnetic phases, making tunable symmetry breaking across magnetic transitions highly desirable for discovering non-trivial magnetism. Magnetic moiré superlattices, formed by twisting two-dimensional magnetic crystals, have been theoretically proposed and experimentally explored as platforms for unconventional magnetic states. However, despite recent advances, the ability to tune symmetry breaking in moiré magnetism remains limited, as twisted two-dimensional magnets predominantly inherit the magnetic properties and symmetries of their constituent layers. Here, in this work, we demonstrate a clear evolution of symmetry in hexagonal-stacked twisted double-bilayer CrI 3 as the twist angle increases from 180° to 190°. Although the net magnetization remains zero across this twist-angle range, the magnetic phase breaks only the threefold rotational symmetry at 180°, but it breaks all the rotational, mirror and time-reversal symmetries at intermediate twist angles between 181° and 185°, and all broken symmetries are recovered at 190°. This pronounced symmetry breaking at intermediate twist angles is accompanied by metamagnetic behaviour, evidenced by symmetric double hysteresis loops around zero magnetic field. Together, these results reveal that hexagonal-stacked twisted double-bilayer CrI3 at intermediate twist angles hosts a distinct moiré magnetic phase, featuring periodic in-plane spin textures with broken rotational, mirror and time-reversal symmetries.

Sun, Zeliang (ORCID:0009000770748064)↗

DOE OSTI2021

Interpretation of multiple solutions in fully iterative GF2 and GW schemes using local analysis of two-particle density matrices

Due to the presence of non-linear equations, iterative Green’s function methods can result in multiple different solutions even for simple molecular systems. In contrast to the wave-function methods, a detailed and careful analysis of such molecular solutions was not performed before. In this work, we use two-particle density matrices to investigate local spin and charge correlators that quantify the charge resonance and covalent characters of these solutions. When applied within the unrestricted orbital set, spin correlators elucidate the broken symmetry of the solutions, containing necessary information for building effective magnetic Hamiltonians. Based on GW and GF2 calculations of simple molecules and transition metal complexes, we construct Heisenberg Hamiltonians, four-spin-four-center corrections, and biquadratic spin–spin interactions. These Hamiltonian parameterizations are compared to previous wave-function calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Ground State and Hidden Symmetry of Magic-Angle Graphene at Even Integer Filling

In magic angle twisted bilayer graphene (TBG), electron-electron interactions play a central role, resulting in correlated insulating states at certain integer fillings. Identifying the nature of these insulators is a central question, and it is potentially linked to the relatively high-temperature superconductivity observed in the same devices. Here, we address this question using a combination of analytical strong-coupling arguments and a comprehensive Hartree-Fock numerical calculation, which includes the effect of remote bands. The ground state we obtain at charge neutrality is an unusual ordered state, which we call the Kramers intervalley-coherent (K-IVC) insulator. In its simplest form, the K-IVC order exhibits a pattern of alternating circulating currents that triples the graphene unit cell, leading to an “orbital magnetization density wave.” Although translation and time-reversal symmetry are broken, a combined “Kramers” time-reversal symmetry is preserved. Our analytic arguments are built on first identifying an approximate U⁡(4) × U⁡(4) symmetry, resulting from the remarkable properties of the TBG band structure, which helps select a low-energy manifold of states that are further split to favor the K-IVC state. This low-energy manifold is also found in the Hartree-Fock numerical calculation. We show that symmetry-lowering perturbations can stabilize other insulators and the semimetallic state, and we discuss the ground state at half-filling and give a comparison with experiments.

Bultinck, Nick↗

DOE OSTI2021

Time Refraction of Spin Waves

Here, we present an experimental study of time refraction of spin waves (SWs) propagating in microscopic waveguides under the influence of time-varying magnetic fields. Using space- and time-resolved Brillouin light scattering microscopy, we demonstrate that the broken translational symmetry along the time coordinate results in a loss of energy conservation for SWs and thus allows for a broadband and controllable shift of the SW frequency. With an integrated design of SW waveguide and microscopic current line for the generation of strong, nanosecond-long, magnetic field pulses, a conversion efficiency up to 39% of the carrier SW frequency is achieved, significantly larger compared to photonic systems. Given the strength of the magnetic field pulses and its strong impact on the SW dispersion relation, the effect of time refraction can be quantified on a length scale comparable to the SW wavelength. Furthermore, we utilize time refraction to excite SW bursts with pulse durations in the nanosecond range and a frequency shift depending on the pulse polarity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Theoretical investigations on Kerr and Faraday rotations in topological multi-Weyl Semimetals

Motivated by the recent proposal of giant Kerr rotation in WSMs, we investigate the Kerr and Faraday rotations in time-reversal broken multi-Weyl semimetals (mWSMs) in the absence of an external magnetic field. Using the framework of Kubo response theory, we find that both the longitudinal and transverse components of the optical conductivity in mWSMs are modified by the topological charge ( n n ). Engendered by the optical Hall conductivity, we show in the thin film limit that, while the giant Kerr rotation and corresponding ellipticity are independent of n n , the Faraday rotation and its ellipticity angle scale as n n and n^2 n 2 , respectively. In contrast, the polarization rotation in semi-infinite mWSMs is dominated by the axion field showing n n dependence. In particular, the magnitude of Kerr (Faraday) angle decreases (increases) with increasing n n in Faraday geometry, whereas in Voigt geometry, it depicts different n n -dependencies in different frequency regimes. The obtained results on the behavior of polarization rotations in mWSMs could be used in experiments as a probe to distinguish single, double, and triple WSMs, as well as discriminate the surfaces of mWSMs with and without hosting Fermi arcs.

36 MATERIALS SCIENCE↗

NASA NTRS1981

Analyses of MAGSAT tracks crossing the study region in the Indian Ocean

Progress in software development and in preliminary analysis of MAGSAT tracks crossing the Indian Ocean is reported. Tracks crossing the Java Trench, Broken Ridge, the Southeast Indian Ridge, and the Ninetyeast Ridge show that magnetic anomalies correlate with some of these features. Preliminary study of anomaly profiles indicates that tracks of anomaly data (the observations minus a core field model) have a power spectrum decreasing as the inverse square of the spatial frequency. An apparent noise floor of about one to two gammas rms is reached at wavelengths of about 360 km, corresponding to approximately 10 samples of the decimated Investigator tape data at a sampling rate of approximately 4.9 sec/sample.

Sailor, R. V.↗

DOE OSTI2022

Emergence of electric-field-tunable interfacial ferromagnetism in 2D antiferromagnet heterostructures

Van der Waals (vdW) magnet heterostructures have emerged as new platforms to explore exotic magnetic orders and quantum phenomena. Here, we study heterostructures of layered antiferromagnets, CrI 3 and CrCl 3 , with perpendicular and in-plane magnetic anisotropy, respectively. Using magneto-optical Kerr effect microscopy, we demonstrate out-of-plane magnetic order in the CrCl 3 layer proximal to CrI 3 , with ferromagnetic interfacial coupling between the two. Such an interlayer exchange field leads to higher critical temperature than that of either CrI 3 or CrCl 3 alone. We further demonstrate significant electric-field control of the coercivity, attributed to the naturally broken structural inversion symmetry of the heterostructure allowing unprecedented direct coupling between electric field and interfacial magnetism. These findings illustrate the opportunity to explore exotic magnetic phases and engineer spintronic devices in vdW heterostructures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Large intrinsic anomalous Hall effect in SrIrO 3 induced by magnetic proximity effect

The anomalous Hall effect (AHE) is an intriguing transport phenomenon occurring typically in ferromagnets as a consequence of broken time reversal symmetry and spin-orbit interaction. It can be caused by two microscopically distinct mechanisms, namely, by skew or side-jump scattering due to chiral features of the disorder scattering, or by an intrinsic contribution directly linked to the topological properties of the Bloch states. Here we show that the AHE can be artificially engineered in materials in which it is originally absent by combining the effects of symmetry breaking, spin orbit interaction and proximity-induced magnetism. In particular, we find a strikingly large AHE that emerges at the interface between a ferromagnetic manganite (La 0.7 Sr 0.3 MnO 3 ) and a semimetallic iridate (SrIrO 3 ). It is intrinsic and originates in the proximity-induced magnetism present in the narrow bands of strong spin-orbit coupling material SrIrO 3 , which yields values of anomalous Hall conductivity and Hall angle as high as those observed in bulk transition-metal ferromagnets. These results demonstrate the interplay between correlated electron physics and topological phenomena at interfaces between 3d ferromagnets and strong spin-orbit coupling 5d oxides and trace an exciting path towards future topological spintronics at oxide interfaces.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Microscopic Theory of Nonlinear Hall Effect in Three-Dimensional Magnetic Systems

Abstract Nonlinear Hall effect (NLHE) has been detected in various of condensed matter systems. Unlike linear Hall effect, NLHE may exist in physical systems with broken inversion symmetry in crystals. On the other hand, real space spin texture may also break inversion symmetry and result in NLHE. We employ the Feynman diagrammatic technique to calculate non-linear Hall conductivity (NLHC) in three-dimensional magnetic systems. The results connect NLHE with the physical quantity of emergent electrodynamics which originates from the magnetic texture. The leading order contribution of NLHC, χabb , is proportional to the emergent toroidal moment T a e , which reflects how the spin textures wind in three dimensions.

Hou 侯, Wen-Tao 文涛↗

DOE OSTI2025

Observation of anomalous thermal Hall effect in a Kagome superconductor

Broken time-reversal symmetry (TRS) in superconductors can induce not only spontaneous magnetization by the finite angular momentum of Cooper pairs but also the anomalous thermal Hall effects (ATHEs), whose detection has been extremely challenging. Here, we report the successful observation of an ATHE developing below the superconducting transition temperature at zero magnetic field in the kagome-lattice superconductor CsV 3 Sb 5 . This finding is verified by the absence of a signal in a conventional type-II superconductor using the same setup and by ruling out the trapped-vortex effects through micro-Hall array measurements. Both the temperature dependence and the magnitude of the observed anomalous thermal Hall conductivity are quite different from those expected for the quantized thermal edge current of an intrinsic ATHE but consistent with extrinsic impurity-induced ATHEs in chiral superconductivity. Our study of ATHE offers an alternative approach to probe TRS breaking in the superconducting states.

Yoshida, Hiroki [Univ. of Tokyo, Chiba (Japan)] (O↗

NASA NTRS1998

A Viewing Angle-Kinetic Luminosity Scheme for BL Lacertae Objects

We propose a unified classification for BL Lacertae objects (BLs), focusing on the synchrotron peak frequency of the spectral energy distribution. The unification scheme is based on the angle theta that describes the orientation of the relativistic jet and on the electron kinetic luminosity Lamba(sub kin) of the jet. We assume that Lamba(sub kin) scales with the size of the jet (r) in a self-similar fashion (Lamba(sub kin) is proportional to r(exp 2)), as supported by observational data. The jets are self-similar in geometry and have the same pressure and median magnetic field at the inlet, independent of size. The self-similarity is broken for the highest energy electrons, which radiate mainly at high frequencies, since for large sources they suffer more severe radiative energy losses over a given fraction of the jet length. We calculate the optically thin synchrotron spectrum using an accelerating inner jet model based on simple relativistic gas dynamics and show that it can fit the observed infrared-to-X-ray spectrum of PKS 2155-304. We couple the accelerating jet model to the unification scheme and compare the results to complete samples of BLs. The negative apparent evolution of X-ray-selected BLs is explained as a result of positive evolution of the jet electron kinetic luminosity Lamba(sub kin). We review observational arguments in favor of the existence of scaled-down accretion disks and broad emission-line regions in BLs. The proposed unification scheme can explain the lack of observed broad emission lines in X-ray-selected BLs as well as the existence of those lines preferentially in luminous radio-selected BLs. Finally, we review observational arguments that suggest the extension of this unification scheme to all blazars.

Georganopoulos, Markos↗

NASA NTRS2014

Magnetohydrodynamic Turbulence and the Geodynamo

The ARES Directorate at JSC has researched the physical processes that create planetary magnetic fields through dynamo action since 2007. The "dynamo problem" has existed since 1600, when William Gilbert, physician to Queen Elizabeth I, recognized that the Earth was a giant magnet. In 1919, Joseph Larmor proposed that solar (and by implication, planetary) magnetism was due to magnetohydrodynamics (MHD), but full acceptance did not occur until Glatzmaier and Roberts solved the MHD equations numerically and simulated a geomagnetic reversal in 1995. JSC research produced a unique theoretical model in 2012 that provided a novel explanation of these physical observations and computational results as an essential manifestation of broken ergodicity in MHD turbulence. Research is ongoing, and future work is aimed at understanding quantitative details of magnetic dipole alignment in the Earth as well as in Mercury, Jupiter and its moon Ganymede, Saturn, Uranus, Neptune, and the Sun and other stars.

Shebalin, John V.↗

DOE OSTI2020

Stable Higgs mode in anisotropic quantum magnets

Low-energy excitations associated with the amplitude fluctuation of an order parameter in condensed-matter systems can mimic the Higgs boson, an elementary particle in the standard model, and are dubbed as Higgs modes. Identifying the condensed-matter Higgs mode is challenging because it is known in many cases to decay rapidly into other low-energy bosonic modes, which renders the Higgs mode invisible. Therefore, it is desirable to find a way to stabilize the Higgs mode, which can offer an insight into the stabilization mechanism of the Higgs mode in condensed-matter physics. In quantum magnets, magnetic order caused by spontaneous symmetry breaking supports transverse (magnons) and longitudinal (Higgs modes) fluctuations. Additionally, when a continuous symmetry is broken, the Goldstone magnon mode generally has an excitation energy lower than that of the Higgs mode, causing a rapid decay of the latter. In this work, we show that a stable Higgs mode exists in anisotropic quantum magnets near the quantum critical point between the dimerized and magnetically ordered phases. We find that an easy axis anisotropy increases the magnon gap such that the magnon mode is above the Higgs mode near the quantum critical point, and the decay of the Higgs mode into the magnon mode is forbidden kinematically. Our results suggest that the anisotropic quantum magnets provide ideal platforms to explore the Higgs physics in condensed-matter systems.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Generalized symmetry in dynamical gravity

We explore generalized symmetry in the context of nonlinear dynamical gravity. Our basic strategy is to transcribe known results from Yang-Mills theory directly to gravity via the tetrad formalism, which recasts general relativity as a gauge theory of the local Lorentz group. By analogy, we deduce that gravity exhibits a one-form symmetry implemented by an operator U α labeled by a center element α of the Lorentz group and associated with a certain area measured in Planck units. The corresponding charged line operator W ρ is the holonomy in a spin representation ρ, which is the gravitational analog of a Wilson loop. The topological linking of U α and W ρ has an elegant physical interpretation from classical gravitation: the former materializes an exotic chiral cosmic string defect whose quantized conical deficit angle is measured by the latter. We verify this claim explicitly in an AdS-Schwarzschild black hole background. Notably, our conclusions imply that the standard model exhibits a new symmetry of nature at scales below the lightest neutrino mass. More generally, the absence of global symmetries in quantum gravity suggests that the gravitational one-form symmetry is either gauged or explicitly broken. The latter mandates the existence of fermions. Finally, we comment on generalizations to magnetic higher-form or higher-group gravitational symmetries.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Layer-by-layer disentanglement of Bloch states

Layer-by-layer material engineering has produced interesting quantum phenomena such as interfacial superconductivity and the quantum anomalous Hall effect. However, probing electronic states layer-by-layer remains challenging. This is exemplified by the difficulty in understanding the layer origins of topological electronic states in magnetic topological insulators. In this work, we report a layer-encoded frequency-domain photoemission experiment on the magnetic topological insulator (MnBi 2 Te 4 )(Bi 2 Te 3 ) that characterizes the origins of its electronic states. Infrared laser excitations launch coherent lattice vibrations with the layer index encoded by the vibration frequency. Photoemission spectroscopy then tracks the electron dynamics, where the layer information is carried in the frequency domain. This layer-frequency correspondence reveals wavefunction relocation of the topological surface state from the top magnetic layer into the buried second layer, reconciling the controversy over the vanishing broken-symmetry energy gap in (MnBi 2 Te 4 )(Bi 2 Te 3 ) and its related compounds. The layer-frequency correspondence can be harnessed to disentangle electronic states layer-by-layer in a broad class of van der Waals superlattices.

36 MATERIALS SCIENCE↗