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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

High-field magnetic phase diagrams of the 𝑅⁢Mn 6 ⁢Sn 6 (𝑅=Gd–Tm) kagome metals

𝑅⁢Mn 6 ⁢Sn 6 (𝑅=Y, Gd–Lu) kagome metals are promising materials hosting flat electronic bands and Dirac points that interact with magnetism. The coupling between the two magnetic 𝑅 and Mn sublattices can drive complex magnetic states with potential consequences for spin and charge transport and other topological properties. Here, in this work, we use a detailed magnetic Hamiltonian to calculate and predict the magnetic phase diagrams for 𝑅⁢Mn 6 ⁢Sn 6 kagome metals within the mean-field approximation. These calculations reveal a variety of collinear, noncollinear, and noncoplanar phases that arise from competition between various interlayer magnetic exchange interactions and magnetic anisotropies of the 𝑅 and Mn ions. We enumerate these phases and their magnetic space groups for future analysis of their impact on topological and trivial bands near the Fermi surface.

kagome metal↗
DOE OSTI2025

Magnetic skyrmionic structures with variable topological charges in engineered Dzyaloshinskii-Moriya interaction systems

Magnetic skyrmionic structures, including magnetic skyrmions and antiskyrmions, are characterized by swirling spin textures with non-trivial topologies. They are featured with specific topological charges, Q , which are of crucial importance in determining their topological properties. Owing to the invariance of the chiral nature, it is generally believed that Q is conserved in a given magnetic skyrmionic structure and is hard to alter. Here, we experimentally realize the control of Q of magnetic skyrmionic structures at room temperature in a Dzyaloshinskii-Moriya interaction (DMI) platform with spatially alternating signs. Depending on how many times it crosses the interfaces between DMI regions with opposite signs, the magnetic skyrmionic structures possess different Q . Modifying the DMI energy landscape through chemisorbed oxygen, a magnetic topological transition is realized. This creation and manipulation of magnetic skyrmionic structures with controllable Q , in particular the DMI-stabilized thin-film antiskyrmions and high- Q skyrmionic structures, enables a new degree of freedom to control their dynamics via a novel DMI confinement effect. Our findings open up an unexplored avenue on various topological magnetic skyrmionic structures and their potential applications.

magnetic properties and materials↗
DOE OSTI2020

Squaring the fermion: The threefold way and the fate of zero modes

In this work, we investigate topological properties and classification of mean-field theories of stable bosonic systems. Of the three standard classifying symmetries, only time reversal represents a real symmetry of the many-boson system, while the other two, particle-hole and chiral, are simply constraints that manifest as symmetries of the effective single-particle problem. For gapped systems in arbitrary space dimension, we establish three fundamental no-go theorems that prove the absence of parity switches, symmetry-protected-topological quantum phases, and localized bosonic zero modes under open boundary conditions. We then introduce a squaring, kernel-preserving map connecting noninteracting Hermitian theories of fermions and stable boson systems, which serves as a playground to reveal the role of topology in bosonic phases and their localized midgap boundary modes. Finally, we determine the symmetry classes inherited from the fermionic tenfold-way classification, unveiling an elegant threefold-way topological classification of noninteracting bosons. We illustrate our main findings in one- and two-dimensional bosonic lattice and field-theory models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Transition to the Haldane phase driven by electron-electron correlations

One of the most famous quantum systems with topological properties, the spin S = 1 antiferromagnetic Heisenberg chain, is well-known to display exotic S = 1/2 edge states. However, this spin model has not been analyzed from the more general perspective of strongly correlated systems varying the electron electron interaction strength. Here, we report the investigation of the emergence of the Haldane edge in a system of interacting electrons – the two orbital Hubbard model—with increasing repulsion strength U and Hund interaction J H . We show that interactions not only form the magnetic moments but also form a topologically nontrivial fermionic many-body ground-state with zero-energy edge states. Specifically, upon increasing the strength of the Hubbard repulsion and Hund exchange, we identify a sharp transition point separating topologically trivial and nontrivial ground-states. Surprisingly, such a behaviour appears already at rather small values of the interaction, in a regime where the magnetic moments are barely developed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Observation of a chiral wave function in the twofold-degenerate quadruple Weyl system BaPtGe

Topological states in quantum materials are defined by bulk wave functions that possess nontrivial topological invariants. While edge modes are widely presented as signatures of nontrivial topology, how bulk wave functions can manifest explicitly topological properties remains unresolved. Here, using high-resolution inelastic x-ray spectroscopy (IXS) combined with first principles calculations, we report experimental signatures of chiral wave functions in the bulk phonon spectrum of BaPtGe, which we show to host a previously undiscovered twofold-degenerate quadruple Weyl node. The chirality of the degenerate phononic wave function yields a nontrivial phonon dynamical structure factor, S(Q,ω), along high-symmetry directions, that is in excellent agreement with numerical and model calculations. Furthermore, our results establish IXS as a powerful tool to uncover topological wave functions, providing a key missing ingredient in the study of topological quantum matter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Controlling topology through targeted composite symmetry manipulation in magnetic systems

The possibility of selecting magnetic space groups by orienting the magnetization direction or tuning magnetic orders offers a vast playground for engineering symmetry-protected topological phases in magnetic materials. In this work, we study how selective tuning of symmetry and magnetism can influence and control the resulting topology in a two-dimensional magnetic system, and we illustrate such a procedure in the ferromagnetic monolayer MnPSe 3 . Density functional theory calculations reveal a symmetry-protected accidental semimetallic (SM) phase for out-of-plane magnetization, which becomes an insulator when the magnetization is tilted in-plane, reaching band-gap values close to 100 meV. We identify an order-2 composite antiunitary symmetry and threefold rotational symmetry that induce the band crossing, and we classify the possible topological phases using symmetry analysis, which we support with tight-binding and k · p models. Breaking of inversion symmetry opens a gap in the SM phase, giving rise to a Chern insulator. We demonstrate this explicitly in the isostructural Janus compound Mn 2 ⁢P 2 ⁢S 3 ⁢Se 3 , which naturally exhibits Rashba spin-orbit coupling that breaks inversion symmetry. Our results map out the phase space of topological properties of ferromagnetic transition-metal phosphorus trichalcogenides, and they demonstrate the potential of the magnetization-dependent metal-to-insulator transition as a spin switch in integrated two-dimensional electronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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 OSTI2022

Exploration of two surfaces observed in Weyl semimetal BaMnSb 2

Single crystalline BaMnSb 2 is considered as a 3D Weyl semimetal with the 2D electronic structure containing Dirac cones from the Sb sheet. We report experimental investigation of low-temperature cleaved BaMnSb 2 surfaces using scanning tunneling microscopy/spectroscopy and low energy electron diffraction. By natural cleavage, we find two terminations: one is Ba (above the orthorhombically distorted Sb sheet) and another Sb2 (at the surface of the Sb/Mn/Sb sandwich layer). Both terminations show the 2×1 surface reconstructions, with drastically different morphologies and electronic properties, however. The reconstructed structures, defect types and nature of the electronic structures of the two terminations are extensively studied. The quasiparticle interference (QPI) analysis is conducted at the energy range between -2 V and 2 V, although no interesting states are observed near the Fermi level, the surface-projected electronic band structures strongly depend on the surface termination above 1.6 V. The existence of defects can greatly modify the local density of states to create electronic phase separations on the surface in the order of tens of nm scale. Our observation on the atomic structures of the terminations and the corresponding electronic structures provides critical information towards an understanding of topological properties of BaMnSb 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Honeycomb-Lattice Mott Insulator on Tantalum Disulphide

Effects of electron many-body interactions amplify in an electronic system with a narrow bandwidth opening a way to exotic physics. A narrow band in a two-dimensional (2D) honeycomb lattice is particularly intriguing as combined with Dirac bands and topological properties but the material realization of a strongly interacting honeycomb lattice described by the Kane-Mele-Hubbard model has not been identified. Here we report a novel approach to realize a 2D honeycomb-lattice narrow-band system with strongly interacting 5$\textit{d}$ electrons. Iin this work, we engineer a well-known triangular lattice 2D Mott insulator 1$\textit{T}$ – TaS 2 into a honeycomb lattice utilizing an adsorbate superstructure. Potassium (K) adatoms at an optimum coverage deplete one-third of the unpaired $\textit{d}$ electrons and the remaining electrons form a honeycomb lattice with a very small hopping. Ab initio calculations show extremely narrow $Z_2$ topological bands mimicking the Kane-Mele model. Electron spectroscopy detects an order of magnitude bigger charge gap confirming the substantial electron correlation as confirmed by dynamical mean field theory. It could be the first artificial Mott insulator with a finite spin Chern number.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Spin-orbit–driven ferromagnetism at half moiré filling in magic-angle twisted bilayer graphene

Strong electron correlation and spin-orbit coupling (SOC) can have a profound influence on the electronic properties of materials. We examined their combined influence on a two-dimensional electronic system at the atomic interface between magic-angle twisted bilayer graphene and a tungsten diselenide crystal. We found that strong electron correlation within the moiré flatband stabilizes correlated insulating states at both quarter and half filling, and that SOC transforms these Mott-like insulators into ferromagnets, as evidenced by a robust anomalous Hall effect with hysteretic switching behavior. The coupling between spin and valley degrees of freedom could be demonstrated through control of the magnetic order with an in-plane magnetic field or a perpendicular electric field. Our findings establish an experimental knob to engineer topological properties of moiré bands in twisted bilayer graphene and related systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Flat bands and ferrimagnetic order in electronically correlated dice-lattice ribbons

In this work, we study ribbons of the dice two-dimensional lattice (that we call “dice ladders”) known to have nontrivial topological properties, such as Chern numbers 2. Our main results are two fold. (1) Analyzing the tight-binding model in the presence of Rashba spin-orbit coupling and an external magnetic field, we observed that dice ladders qualitatively display properties similar to their two-dimensional counterpart all the way to the limit of only two legs in the short direction. This includes flat bands near the Fermi level, edge currents and edge charge localization near zero energy when open boundary conditions are used, two chiral edge modes, and a nonzero Hall conductance. (2) We studied the effect of Hubbard correlation U in the two-leg dice ladder using Lanczos and density matrix renormalization group techniques. We show that by increasing U the flat bands split without the need of introducing external fields. Moreover, robust ferrimagnetic order develops. Overall, our work establishes dice ladders as a promising playground to study the combined effect of topology and correlation effects, one of the frontiers in quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Increased Defect Resistance and Ordering in MnBi 2 (Se 1– x Te x ) 4 via Accurate Diffusion Monte Carlo

Stabilizing materials and controlling defect formation remain key challenges in materials science, particularly for theory, where small energy differences must be resolved for accurate predictions. Here, we applied state-of-the-art theoretical methods to topological materials, focusing on MnBi 2 Te 4 (MBT), which is a promising intrinsic magnetic topological insulator. Antisite defects in MBT alter its electronic structure and magnetism, degrading topological properties and causing experimental inconsistencies. Using diffusion Monte Carlo and density functional theory, we investigated the thermodynamic stability and defect formation in MBT, MnBi 2 Se 4 (MBS), and MnBi 2 (Se 1–x Te x ) 4 . We found that MnBi 2 Se 2 Te 2 can be stable at finite temperatures, with higher defect formation energies due to stronger Mn–Se bonding and reduced internal strain. Se preferentially substitutes Te near Mn instead of Te in the outer layer, encouraging long-range ordering when incorporated. For MnBi 2 (Se 1–x Te x ) 4 , cluster expansion phase diagrams revealed solid solution behavior when x <0.5 and phase separation for larger x. MBT and MBS are topological insulators; therefore, the MnBi 2 (Se 1–x Te x ) 4 family could offer tunable topological behavior and improved stability.

MnBi2Te4↗
DOE OSTI2025

Single-Layer Magnet Phase in Intrinsic Magnetic Topological Insulators, [MnTe][Bi 2 Te 3 ] n , Far beyond the Thermodynamic Limit

The intrinsic magnetic topological insulator (IMTI) family [MnTe][Bi 2 Te 3 ]n has demonstrated magneto-topological properties dependent on n, making it a promising platform for advanced electronics and spintronics. However, due to technical barriers in sample synthesis, their properties in the large n limit remain unknown. To overcome this, we utilized the atomic layer-by-layer molecular beam epitaxy (ALL-MBE) technique and achieved IMTIs with n as large as 15, far beyond that previously reported in bulk crystals or thin films. Then, we discover that the “single-layer magnet (SLM)” phase, primarily determined by intralayer ferromagnetic coupling, emerges for n > ∼4 and remains little affected up to n = 15. Nonetheless, still, nonzero, interlayer ferromagnetic coupling is necessary to stabilize the SLM phase, suggesting that the SLM phase eventually disappears in the n → ∞ limit. This study uncovers the secrets of IMTIs beyond the thermodynamic limit and opens a door to diverse magneto-topological applications.

2D ferromagnets↗
DOE OSTI2020

Hall viscosity of the composite-fermion Fermi seas for fermions and bosons

The Hall viscosity has been proposed as a topological property of incompressible fractional quantum Hall states and can be evaluated as Berry curvature. This paper reports on the Hall viscosities of composite-fermion Fermi seas at ν = 1/m, where m is even for fermions and odd for bosons. A well-defined value for the Hall viscosity is not obtained by viewing the 1/m composite-fermion Fermi seas as the n → ∞ limit of the Jain ν = n/(nm ± 1) states, whose Hall viscosities (±n + m)ℏρ/4 (ρ is the two-dimensional density) approach ±∞ in the limit n → ∞. A direct calculation shows that the Hall viscosities of the composite-fermion Fermi sea states are finite and also relatively stable with system size variation, although they are not topologically quantized in the entire τ space. Here, I find that the ν = 1/2 composite-fermion Fermi sea wave function for a square torus yields a Hall viscosity that is expected from particle-hole symmetry and is also consistent with the orbital spin of 1/2 for Dirac composite fermions. I compare my numerical results with some theoretical conjectures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Tunable quantum anomalous Hall effects in ferromagnetic van der Waals heterostructures

ABSTRACT The quantum anomalous Hall effect (QAHE) has unique advantages in topotronic applications, but it is still challenging to realize the QAHE with tunable magnetic and topological properties for building functional devices. Through systematic first-principles calculations, we predict that the in-plane magnetization induced QAHE with Chern numbers C = ±1 and the out-of-plane magnetization induced QAHE with high Chern numbers C = ±3 can be realized in a single material candidate, which is composed of van der Waals (vdW) coupled Bi and MnBi2Te4 monolayers. The switching between different phases of QAHE can be controlled in multiple ways, such as applying strain or (weak) magnetic field or twisting the vdW materials. The prediction of an experimentally available material system hosting robust, highly tunable QAHE will stimulate great research interest in the field. Our work opens a new avenue for the realization of tunable QAHE and provides a practical material platform for the development of topological electronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Ultrafast high-harmonic spectroscopy of solids

High-harmonic spectroscopy, an ultrafast all-optical technique initially conceptualized in atomic and molecular systems, has now emerged as a powerful platform for studying the structure and dynamics of condensed matter. Unlike that in the gas phase, solid-state high-harmonic generation relies on the fundamental response from high atomic density and periodicity, leading to interband transitions and coherent driving of electrons and holes in their respective bands. These mechanisms make high-harmonic spectroscopy particularly sensitive to the electronic band structure, topological properties and many-body correlations in condensed media. An advantage of high-harmonic spectroscopy over other spectroscopic methods is its ability to probe ultrafast phenomena, capturing femto- to attosecond dynamics of multi-band and strongly correlated electron interactions in solids. Furthermore, in this Review, we discuss the latest experimental and theoretical advances in ultrafast high-harmonic spectroscopy of solids and provide perspectives for future research in this field.

High-harmonic generation↗
DOE OSTI2024

Absence of quantization in the circular photogalvanic effect in disordered chiral Weyl semimetals

The circularly polarized photogalvanic effect (CPGE) is studied in chiral Weyl semimetals with short-range quenched disorder. Without disorder, the topological properties of chiral Weyl semimetals lead to quantization of the CPGE, which is a second-order optical response. Furthermore, using a combination of diagrammatic perturbation theory in the continuum and exact numerical calculations via the kernel polynomial method on a lattice model, we show that disorder perturbatively destabilizes the quantization of the CPGE.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Valley-Coherent Quantum Anomalous Hall State in AB-Stacked MoTe 2 / W S e 2 Bilayers

Moiré materials provide fertile ground for the correlated and topological quantum phenomena. Among them, the quantum anomalous Hall (QAH) effect, in which the Hall resistance is quantized even under zero magnetic field, is a direct manifestation of the intrinsic topological properties of a material and an appealing attribute for low-power electronics applications. The QAH effect has been observed in both graphene and transition metal dichalcogenide (TMD) moiré materials. It is thought to arise from the interaction-driven valley polarization of the narrow moiré bands. Here, we show that the newly discovered QAH state in AB-stacked MoTe 2 / W S e 2 moiré bilayers is not valley polarized but valley coherent. The layer- and helicity-resolved optical spectroscopy measurement reveals that the QAH ground state possesses spontaneous spin (valley) polarization aligned (antialigned) in two TMD layers. In addition, saturation of the out-of-plane spin polarization in both layers occurs only under high magnetic fields, supporting a canted spin texture. Our results call for a new mechanism for the QAH effect and highlight the potential of TMD moiré materials with strong electronic correlations and spin-orbit interactions for exotic topological states. Published by the American Physical Society 2024

2-dimensional systems↗