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At least 541 records · Page 30

Measurement of Conduction and Valence Bands g -Factors in a Transition Metal Dichalcogenide Monolayer

The electron valley and spin degree of freedom in monolayer transition-metal dichalcogenides can be manipulated in optical and transport measurements performed in magnetic fields. The key parameter for determining the Zeeman splitting, namely, the separate contribution of the electron and hole g factor, is inaccessible in most measurements. Here we present an original method that gives access to the respective contribution of the conduction and valence band to the measured Zeeman splitting. It exploits the optical selection rules of exciton complexes, in particular the ones involving intervalley phonons, avoiding strong renormalization effects that compromise single particle g -factor determination in transport experiments. These studies yield a direct determination of single band g factors. We measure g c1 = 0.86 ± 0.1, g c2 = 3.84 ± 0.1 for the bottom (top) conduction bands and g v = 6.1 ± 0.1 for the valence band of monolayer WSe 2 . These measurements are helpful for quantitative interpretation of optical and transport measurements performed in magnetic fields. In addition, the measured g factors are valuable input parameters for optimizing band structure calculations of these 2D materials.

36 MATERIALS SCIENCE↗

Observation of Defect-Assisted Magnetic Vortex Core Reversal at Ultralow Critical Velocity

The stability of structures with nontrivial topology is a subject of great interest, both from fundamental and technological perspectives. The topology of a magnetic vortex, for example, results in high stability of the vortex core polarity, which is attractive for applications. This high stability, however, greatly impedes the required deterministic polarity switching, which is typically only achieved with large magnetic fields or strong dynamic driving. Here, we show that the interaction between the vortex core and manufactured nanoscale defects in the magnetic material lowers the required driving strength for core polarity reversal by more than an order of magnitude. We excite vortex dynamics in thin permalloy disks, and map the twodimensional (2D) vortex core trajectory using 3D time-resolved Kerr microscopy. In pristine samples, we observe normal gyrotropic motion of the vortex core. After laser-induced generation of defects, however, we observe repeated vortex core reversal at much-reduced driving strength. Micromagnetic simulations reveal how local reduction of exchange coupling and saturation magnetization can create vortex core reversal sites for deterministic vortex core switching.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Emergent Halperin–Saslow mode, gauge glass and quenched disorders in quantum Ising magnet TmMgGaO 4

Quenched disorders could bring novel quantum excitations and models to certain quantum magnets. Motivated by recent experiments on the quantum Ising magnet TmMgGaO 4 , we explore the effects of the quenched disorder and the interlayer coupling in this triangular lattice Ising antiferromagnet. It is pointed out that the weak quenched (nonmagnetic) disorder would convert the emergent 2D Berezinskii–Kosterlitz–Thouless (BKT) phase and the critical region into a U(1) gauge glass. There will be an emergent Halperin–Saslow mode associated with this gauge glass. Using the Imry-Ma’s renormalization group result, we explain the fate of the finite-field [Formula: see text] symmetry breaking transition at the low temperatures. The ferromagnetic interlayer coupling would suppress the BKT phase and generate a tiny ferromagnetism. With quenched disorders, this interlayer coupling changes the 2D gauge glass into a 3D gauge glass, and the Halperin–Saslow mode persists. This work merely focuses on addressing a phase regime in terms of emergent U(1) gauge glass behaviors and hope to inspire future works and thoughts in weakly disordered frustrated magnets in general.

Physics↗

Magnetic Energy Release, Plasma Dynamics, and Particle Acceleration in Relativistic Turbulent Magnetic Reconnection

In strongly magnetized astrophysical plasma systems, magnetic reconnection is believed to be the primary process during which explosive energy release and particle acceleration occur, leading to significant high-energy emission. Past years have witnessed active development of kinetic modeling of relativistic magnetic reconnection, supporting this magnetically dominated scenario. A much less explored issue in studies of relativistic reconnection is the consequence of three-dimensional dynamics, where turbulent structures are naturally generated as various types of instabilities develop. This paper presents a series of three-dimensional, fully kinetic simulations of relativistic turbulent magnetic reconnection (RTMR) in positron–electron plasmas with system domains much larger than kinetic scales. Our simulations start from a force-free current sheet with several different modes of long-wavelength magnetic field perturbations, which drive additional turbulence in the reconnection region. Because of this, the current layer breaks up and the reconnection region quickly evolves into a turbulent layer filled with coherent structures such as flux ropes and current sheets. Additionally, we find that plasma dynamics in RTMR is vastly different from its 2D counterpart in many aspects. The flux ropes evolve rapidly after their generation, and can be completely disrupted by the secondary kink instability. This turbulent evolution leads to superdiffusive behavior of magnetic field lines as seen in MHD studies of turbulent reconnection. Meanwhile, nonthermal particle acceleration and the timescale for energy release can be very fast and do not depend strongly on the turbulence amplitude. Additionally, the main acceleration mechanism is a Fermi-like acceleration process supported by the motional electric field, whereas the nonideal electric field acceleration plays a subdominant role. We also discuss possible observational implications of three-dimensional RTMR in high-energy astrophysics.

79 ASTRONOMY AND ASTROPHYSICS↗

Vortex phases and glassy dynamics in the highly anisotropic superconductor HgBa 2 CuO 4+δ

We present an extensive study of vortex dynamics in a high-quality single crystal of HgBa 2 CuO 4+ δ , a highly anisotropic superconductor that is a model system for studying the effects of anisotropy. From magnetization M measurements over a wide range of temperatures T and fields H , we construct a detailed vortex phase diagram. We find that the temperature-dependent vortex penetration field H p ( T ), second magnetization peak H smp ( T ), and irreversibility field H irr ( T ) all decay exponentially at low temperatures and exhibit an abrupt change in behavior at high temperatures T / T c >~0.5. By measuring the rates of thermally activated vortex motion (creep) S ( T , H ) = | d ln M ( T , H )/ d ln t |, we reveal glassy behavior involving collective creep of bundles of 2D pancake vortices as well as temperature- and time-tuned crossovers from elastic (collective) dynamics to plastic flow. Based on the creep results, we show that the second magnetization peak coincides with the elastic-to-plastic crossover at low T , yet the mechanism changes at higher temperatures.

36 MATERIALS SCIENCE↗

Predicting synthesizable multi-functional edge reconstructions in two-dimensional transition metal dichalcogenides

Abstract Two-dimensional (2D) transition metal dichalcogenides (TMDCs) have attracted tremendous interest as functional materials due to their exceptionally diverse and tunable properties, especially in their edges. In addition to the conventional armchair and zigzag edges common to hexagonal 2D materials, more complex edge reconstructions can be realized through careful control over the synthesis conditions. However, the whole family of synthesizable, reconstructed edges remains poorly studied. Here, we develop a computational approach integrating ensemble-generation, force-relaxation, and electronic-structure calculations to systematically and efficiently discover additional reconstructed edges and screen their functional properties. Using MoS 2 as a model system, we screened hundreds of edge-reconstruction to discover over 160 reconstructed edges to be more stable than the conventional ones. More excitingly, we discovered nine new synthesizable reconstructred edges with record thermodynamic stability, in addition to successfully reproducing three recently synthesized edges. We also find our predicted reconstructed edges to have multi-functional properties—they show near optimal hydrogen evolution activity over the conventional edges, ideal for catalyzing hydrogen-evolution reaction (HER) and also exhibit half-metallicity with a broad variation in magnetic moments, making them uniquely suitable for nanospintronic applications. Our work reveals the existence of a wide family of synthesizable, reconstructed edges in 2D TMDCs and opens a new materials-by-design paradigm of ‘intrinsic’ edge engineering multifunctionality in 2D materials.

Hu, Guoxiang (ORCID:0000000329428564)↗

Two-Dimensional Ferroelectric Altermagnets: From Model to Material Realization

Multiferroic altermagnets offer new opportunities for magnetoelectric coupling and electrically tunable spintronics. However, due to intrinsic symmetry conflicts between altermagnetism and ferroelectricity, achieving their coexistence, known as ferroelectric altermagnets (FEAM), remains an outstanding challenge, especially in two-dimensional (2D) systems. Here, we propose a universal, symmetry-based design principle for 2D FEAM, supported by tight-binding models and first-principles calculations. We show that lattice distortions can break spin equivalence and introduce the necessary rotation-related symmetry, enabling altermagnetism with electrically reversible spin splitting. Guided by this framework, we identify a family of 2D vanadium oxyhalides and sulfide halides as promising FEAM candidates. In these compounds, pseudo Jahn-Teller distortions and Peierls-like dimerization cooperatively establish the required symmetry conditions. Here, we further propose the magneto-optical Kerr effect as an experimental probe to confirm FEAM and its electric spin reversal. Furthermore, our findings provide a practical framework for 2D FEAM and advancing electrically controlled spintronic devices.

2D materials↗

Magnetic order and fluctuations in the quasi-two-dimensional planar magnet Sr( Co 1-x Ni x ) 2 As 2

We use neutron scattering to investigate spin excitations in Sr ( Co 1 - x Ni x ) 2 As 2 , which has a c -axis incommensurate helical structure of the two-dimensional (2D) in-plane ferromagnetic (FM) ordered layers for 0.013 ≤ x ≤ 0.25 . By comparing the wave vector and energy dependent spin excitations in helical ordered Sr ( Co 0.9 Ni 0.1 ) 2 As 2 and paramagnetic SrCo 2 As 2 , we find that Ni doping, while increasing lattice disorder in Sr ( Co 1 - x Ni x ) 2 As 2 , enhances quasi-2D FM spin fluctuations. However, our band structure calculations within the combined density functional theory and dynamic mean field theory ( DFT + DMFT ) failed to generate a correct incommensurate wave vector for the observed helical order from nested Fermi surfaces. Furthermore, since transport measurements reveal increased in-plane and c -axis electrical resistivity with increasing Ni doping and associated lattice disorder, we conclude that the helical magnetic order in Sr ( Co 1 - x Ni x ) 2 As 2 may arise from a quantum order-by-disorder mechanism through the itinerant electron mediated Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electron beam-induced nanopores in Bernal-stacked hexagonal boron nitride

Controlling the size and shape of nanopores in two-dimensional materials is a key challenge in applications such as DNA sequencing, sieving, and quantum emission in artificial atoms. Here, we investigate experimentally and theoretically triangular vacancies in (unconventional) Bernal-stacked AB-h-BN formed using a high-energy electron beam. Due to the geometric configuration of AB-h-BN, triangular pores in different layers are aligned, and their sizes are controlled by the duration of the electron irradiation. Interlayer covalent bonding at the vacancy edge is not favored, as opposed to what occurs in the more common AA'-stacked BN. A variety of monolayer, concentric and bilayer pores in bilayer AB-h-BN are observed in high-resolution transmission electron microscopy and characterized using ab initio simulations. Bilayer pores in AB-h-BN are commonly formed, and grow without breaking the bilayer character. Nanopores in AB-h-BN exhibit a wide range of electronic properties, ranging from half-metallic to non-magnetic and magnetic semiconducting. Therefore, because of the controllability of the pore size, the electronic structure is also highly controllable in these systems, and can potentially be tuned for particular applications.

2D materials↗

Epitaxial growth of monolayer PdTe 2 and patterned PtTe 2 by direct tellurization of Pd and Pt surfaces

Two-dimensional (2D) palladium ditelluride (PdTe 2 ) and platinum ditelluride (PtTe 2 ) are two Dirac semimetals, which have fascinating quantum properties such as superconductivity, magnetism and topological order and show the promising applications in future nanoelectronics and optoelectronics. However, the synthesis of PdTe 2 and PtTe 2 monolayers (MLs) is hindered by a strong interlayer coupling and orbital hybridization. Here, in this study, we demonstrate an efficient synthesis of PdTe 2 and PtTe 2 MLs Large-area and high quality MLs of PdTe 2 and patterned PtTe 2 were epitaxially grown on the Pd(111) and Pt(111) surfaces by direct telurization in ultra-high vacuum. This was confirmed by x-ray photoelectron spectroscopy, low energy electron diffraction and scanning tunnelling microscopy. PdTe 2 ML demonstrated high thermal stability showing no decomposition sign after annealing at 470 °C. A well-ordered (2 × 2) PtTe 2 structure with Kagome lattice was observed on Te/Pt(111) surface following annealing at 200 °C in UHV, where the (2 × 2) pattern was formed by Te atom vacancies. PtTe 2 multilayer film was prepared as well, and it demonstrated the excitation of the Dirac plasmons as measured by high-resolution electron energy loss spectroscopy. The direct tellurization offers the simple and reliable protocol for the preparation of the ML of PdTe 2 and patterned PtTe 2 , and this opens new opportunities for quantum phenomena research and for practical optoelectronics applications.

2D materials↗

Chiral Four-Wave Mixing Signals with Circularly Polarized X-ray Pulses

Chiral four-wave mixing signals are calculated using the irreducible tensor formalism. Different polarization and crossing angle configurations allow to single out the magnetic dipole and the electric quadrupole interactions. Other configurations can reveal that the chiral interaction occurs at a given step within the nonlinear interaction pathways. Applications are made to the study of valence excitations of S-ibuprofen by chiral stimulated X-ray Raman signals at the carbon K-edge and by chiral visible 2D electronic spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Toward tunable quantum transport and novel magnetic states in Eu 1– x Sr x Mn 1– z Sb 2 ( z < 0.05)

Magnetic semimetals are very promising for potential applications in novel spintronic devices. Nevertheless, realizing tunable topological states with magnetism in a controllable way is challenging. Here, we report novel magnetic states and the tunability of topological semimetallic states through the control of Eu spin reorientation in Eu 1–x Sr x Mn 1–z Sb 2 . Increasing the Sr concentration in this system induces a surprising reorientation of noncollinear Eu spins to the Mn moment direction and topological semimetallic behavior. The Eu spin reorientations to distinct collinear antiferromagnetic orders are also driven by the temperature/magnetic field and are coupled to the transport properties of the relativistic fermions generated by the 2D Sb layers. These results suggest that nonmagnetic element doping at the rare earth element site may be an effective strategy for generating topological electronic states and new magnetic states in layered compounds involving spatially separated rare earth and transition metal layers.

36 MATERIALS SCIENCE↗

2D Magnetohydrodynamic Simulations of the Electrothermal Instability in Metallic Liners

The Virginia Tech (VT) Plasma Dynamics Laboratory Computational (PDCL) and Lawrence Livermore National Laboratory (LLNL) are performing two dimensional (2D) simulations of the electrothermal instability (ETI) using the LLNL multi-physics code Ares. Ares is a multi-physics arbitrary–Lagrangian-Eulerian (ALE) code developed by LLNL and is of particular use in studying magnetohydrodynamic (MHD) instabilities like the ETI due to its resistive MHD, magnetic diffusion, and radiative-hydrodynamics packages. Among its capabilities, it has the ability to model material strength, perform adaptive mesh refinement (AMR), and incorporate a wide variety of equations of state models and conductivity models. The 2D Ares simulation model created by VT-LLNL for studying the development and growth of the electrothermal instability has been configured with initial conditions based on the Mykonos Electrothermal Instability II (METI-II) experiments described by this grant and conducted by team members at the University of Nevada (UNR), the University of New Mexico (UNM), and Sandia National Laboratories. Previously, preliminary 2D Ares simulations of the ETI had been run to approximately 80ns. The rods in these simulations were initiated with sinusoidal perturbations at a similar order of magnitude to those measured on the aluminum rods used for the Mykonos experiment. This model has been improved by increasing the spatial resolution of the simulations and running the simulations further in time. In addition to the simulation run-times extending, the preliminary sinusoidal perturbation has been replaced with a perturbation derived from amplitude measurements by the experimental team, thereby correlating the simulation inputs better to the experimental runs. These new runs are capable of reaching 120ns of simulated time for the uncoated cases and to 200ns the 41 μm coated cases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Divertor detachment characterization in negative triangularity discharges in DIII-D via 2D edge-plasma transport modeling

Edge fluid modeling of the first divertor-plasma detachment experiments in negative triangularity (NT) discharges in the DIII-D tokamak is presented using the 2D multifluid edge transport code UEDGE, including cross-field particle drifts. Experiments were performed where the lower single-null magnetic equilibrium had a strong NT (δ≈−0.5), that is, where the magnetic X-point is at a larger major radius than the core magnetic axis. Divertor-plasma detachment was induced by increasing the core plasma density in DIII-D via intrinsic gas puffing. Here density scans are performed with UEDGE to reach a detached plasma and to quantitatively recover the experimental rollover of the ion saturation current on the outer divertor target plate. The simulations cover experiments with both signs of the toroidal magnetic field, B T , where the ion magnetic Grad-B drifts are directed into (forward B T ) and out of (reverse B T ) the divertor region. Consistent with experiments with neutral beam power injection, the NT simulations reproduce: 40% higher density is needed to reach detachment onset with forward B T compared with reverse B T , and the absence of deep detachment is found with reverse B T . Similarly, comparison between Ohmic discharges in NT and positive triangularity (PT) shaping confirms that a substantially higher density is needed to achieve detachment in NT than in PT, with NT requiring an line-average density of at least the Greenwald density or higher. Simulation results suggest that higher densities are needed to reach detachment in negative compared to PT because these discharges have a shorter midplane-to-target distance along the total magnetic field B, a shorter outer divertor poloidal leg length (0.06 m vs 0.2 m), and reduced radial transport [near-scrape-off layer (SOL) D ⊥ /χ ⊥ =0.3/0.5 vs D ⊥ /χ ⊥ =1.0/1.0, all in (m 2 /s)].

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Building Neutron Scattering Infrastructure in Louisiana for Advanced Materials (Final Report)

The main objective of the Louisiana Consortium for Neutron Scattering (LaCNS) is to build a major neutron scattering infrastructure capable of treating both soft and hard materials. The goal is to create a sustainable effort having the quality, breadth, and depth necessary to produce competitive proposals including collaborative and center type proposals. Our scientific aim is to understand the role of coupling in emergent complex materials and its impact on the structure/property relationship and to explore how to tune the key couplings to guide the design of materials with the desired properties. This naturally includes building a base of users of the Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR) in Louisiana; to train highly talented graduate and post-doctoral students in synthesis, neutron scattering, and simulation and modeling techniques, thereby helping to produce the next generation of scientist who use neutron scattering techniques as a crucial part of their research. The goal of our hard matter program is to understand the interplay between spin, charge, orbital, and lattice degrees of freedom in carefully selected complex materials. We have made considerable progress on number of complex systems including the oxide Sr3(Ru1-xMnx)2O7 where short-range magnetic ordering with anisotropic spin texture is initiated at the metal-insulator transition that clearly indicates a strong spin-charge coupling. Another critical area is in quantum materials. For example, in the topological semimetal BaMnSb2, we found a 3D canted antiferromagnetic Weyl semimetal with a 2D electronic structure and a nontrivial Berry phase. In addition, in the hexagonal chiral Mn1/3NbS2 system, we found soliton/soliton and soliton/antisoliton domain walls where the application of small fields or small currents can be used to control nanoscopic magnetic domains where the control of domain walls is crucially important for information storage. In addition, chemical transformation investigations were performed on the VISION instrument at Spallation Neutron Source (SNS). The soft matter effort was focused on understanding the role of non-covalent interactions on the structure and dynamics of fluid-based soft matter. One key focus was on sequence-defined (SD) amphiphilic peptoid polymers that allow encoding of molecular interactions and thereby systematic investigations of how charge directs the solution self-assembly of amphiphilic polymers in water. Another important area was on the dynamics of lipids self-assembled into membranes for exploring the permeability and mechanical using both neutron spin echo (NSE) spectroscopy and quasielastic neutron scattering (QENS) to distinguished between viscoelasticity and permeability at the molecular scale. Overall, the LaCNS project was quite successful, generating 145 publications and 245 presentations. Our graduate and post-doctoral students were well trained resulting in positions in national laboratories (Oak Ridge National Laboratory (ORNL), Argonne National Laboratory and Los Alamos National Laboratory), major research universities, and industry. We also developed a uniaxial pressure cell along with ORNL for SNS. A critical goal of this project was to establish a foundation for competing nationally in federally funded research programs. To this end, we were quite successful in generating over twenty-two federally and non-federally funded grants including awards from NSF, DOE, and DOD, and two early career awards. Equally important, we were able to secure a key major piece of instrumentation via a large ARO grant for a state-of-the-art electron microscope.

36 MATERIALS SCIENCE↗

Synthesis of an aqueous, air-stable, superconducting 1T'-WS 2 monolayer

Liquid-phase chemical exfoliation can achieve industry-scale production of two-dimensional (2D) materials for a wide range of applications. However, many 2D materials with potential applications in quantum technologies often fail to leave the laboratory setting because of their air sensitivity and depreciation of physical performance after chemical processing. We report a simple chemical exfoliation method to create a stable, aqueous, surfactant-free, superconducting ink containing phase-pure 1T'-WS 2 monolayers that are isostructural to the air-sensitive topological insulator 1T'-WTe 2 . The printed film is metallic at room temperature and superconducting below 7.3 kelvin, shows strong anisotropic unconventional superconducting behavior with an in-plane and out-of-plane upper critical magnetic field of 30.1 and 5.3 tesla, and is stable at ambient conditions for at least 30 days. Our results show that chemical processing can make nontrivial 2D materials that were formerly only studied in laboratories commercially accessible.

36 MATERIALS SCIENCE↗

Effect of surface roughness on phase transition timing in megaampere pulsed-power–driven exploding conductors

An understanding of material phase transitions in megaampere pulsed-power–driven exploding conductors is important for predicting the growth of hydrodynamic instabilities in magneto-inertial fusion concepts. Here, this study analyzes phase transitions in electrical conductor explosions using 1D Lagrangian and 2D arbitrary Lagrangian–Eulerian resistive magnetohydrodynamic simulations to show that micrometer-scale surface roughness can lead to the electrothermal instability (ETI), a feedback effect that concentrates resistive heating and leads to early melting and ablation. Simulations of the Mykonos electrothermal instability II (METI-II) experiment show melting begins 19% sooner for machined rods with micrometer-scale surface roughness than for rods without these features. The surface magnetic field is 41 T around the initial region of melt, representing a lower magnitude than both the 86 T from 1D simulations and the 85 T threshold reported elsewhere. In 2D simulations with micrometer-scale surface roughness, temperature measurements indicate the critical point temperature of aluminum is reached 17% faster in comparison with 1D simulations. Values from 2D simulations with surface roughness align with predictions from ETI theory, and the observed temperature redistribution further supports the ETI as an underlying mechanism. Simulation results are validated against experimental photonic Doppler velocimetry data. This study shows 1D simulations are adequate to model conductors with sub-micrometer-scale surface roughness in this high-energy-density regime; however, 2D or 3D simulations are required to capture the full range of physics for accurately describing phase transitions in conductors with micrometer-scale or larger surface roughness.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Scaling laser preheat for MagLIF with the Z-Beamlet laser

Optimizing the performance of the Magnetized Liner Inertial Fusion (MagLIF) platform on the Z pulsed power facility requires coupling greater than 2 kJ of preheat energy to an underdense fuel in the presence of an applied axial magnetic field ranging from 10 to 30 T. Achieving the suggested optimal preheat energies has not been experimentally achieved so far. In this work, we explore the preheat design space for cryogenically cooled MagLIF targets, which represent a viable candidate for increasing preheat energies. Using 2D and 3D HYDRA MHD simulations, we first discuss the various physical effects that occur during laser preheat, such as laser energy deposition, self-focusing, and filamentation. After identifying the changes that different phase plates, gas-fill densities, and magnetic fields bring to the aforementioned physical effects, we, then, consider higher laser energies that are achievable with modest upgrades to the Z Beamlet laser. Lastly, with a 6.0-kJ upgraded laser, 3D calculations suggest that it is possible to deliver 4.25 kJ into the MagLIF fuel, resulting in an expected deuterium neutron yield of Y DD ≃ 1.5 × 10 14 , or roughly 50 kJ of DT equivalent yield, at 20-MA current drive. This represents a 10-fold increase in the currently achieved yields for MagLIF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗