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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Temperature-Dependent Optical and Structural Properties of Chiral Two-Dimensional Hybrid Lead-Iodide Perovskites

Layered hybrid halide perovskites gain chirality via the incorporation of chiral organic cations in the spacer layer. These so-called chiral two-dimensional (2D) halide perovskites have attracted considerable interest recently for chiral optoelectronic, spintronic, and ferroelectric applications. However, the effect of temperature on these materials, especially how the structure changes with temperature and its impact on the chiral optoelectronic properties, remains an open question. Here, we study the effect of temperature change on chiral optoelectronic and structural properties through temperature-dependent circularly polarized photoluminescence (CPPL) microscopy and synchrotron powder X-ray diffraction as well as pair distribution function analysis to elucidate the intrinsic chiral optoelectronic and structural variations for R-, S-, and racemic-methylbenzylamine lead iodide. Here our results show that the temperature-induced band gap changes indicate a strong electron–phonon coupling compared to the thermal-induced lattice expansion in chiral 2D perovskites. From powder diffraction measurements, a monotonic lattice expansion is observed on heating with no structural phase transitions over 90–360 K detected for the three samples studied herein. Locally, a strongly anisotropic and even negative expansion in some components of the instantaneous Pb–I pair-distance distribution is suggestive of coupling between dynamical intralayer distortions and lattice expansion. This work provides insights into the fundamental understanding of the temperature effect on chiral optoelectronic and structural properties of chiral 2D perovskites, which can lead to new chiral materials design strategies for future chiral optoelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Topological Hall Effect in Antiferromagnetic Co-Doped Fe 3 GaTe 2

Fe 3 GaTe 2 is van der Waals (vdW) ferromagnet with a Curie temperature T C ranging from 350 K to 380 K, followed upon cooling by a ferrimagnetic transition near room temperature. Substituting Fe with Co was previously reported to induce antiferromagnetism (AFM) at a Co fraction dependent Néel temperature TN. In this work, we confirm the overall phase diagram of the Fe 3-x Co x GaTe 2 series as a function of x and temperature via magnetization and electrical transport measurements. For x ≥ 0.6 the Hall effect is observed to mimic the magnetization as the AF ground state is suppressed by the external magnetic field via a metamagnetic transition, thus displaying an anomalous Hall response. At low temperatures, we also observe a pronounced topological Hall signal peaking at μ 0 H = 4 T, or within the metamagnetic transition region of fields. This observation points to the presence of magnetic field-induced chiral spin textures, such as skyrmions upon approaching magnetization saturation. Remarkably, magnetic force microscopy (MFM) reveals the emergence of nearly circular magnetic domains, with diameters on the order of 100–200 nm, within the antiferromagnetic phase. Here, a detailed analysis of the MFM images indicates that the topological Hall effect is closely linked to the field-induced stabilization of magnetic domain structures, likely exhibiting chiral textures. This observation suggests the possible formation of skyrmions already in the AFM phase, i.e., AFM skyrmions, that evolve into ferromagnetic (FM) ones upon increasing the magnetic field. Consequently, Co-doped Fe 3 GaTe 2 might provide a platform to investigate the transformation of skyrmions, initially coupled antiferromagnetically into ferromagnetic skyrmions, and to explore its impact on the topological and skyrmion Hall effects.

anomalous Hall effect↗
DOE OSTI2024

Disorder and diffuse scattering in single-chirality (TaSe 4 ) 2 ⁢I crystals

The quasi-one-dimensional chiral compound (TaSe 4 ) 2 I has been extensively studied as a prime example of a topological Weyl semimetal. Upon crossing its phase transition temperature $T$ CDW ≈263K, (TaSe 4 ) 2 I exhibits incommensurate charge density wave (CDW) modulations described by the well-defined propagation vector ∼(0.05,0.05,0.11), oblique to the TaSe 4 chains. Although optical and transport properties greatly depend on chirality, there is no systematic report about chiral domain size for (TaSe 4 ) 2 I. In this study, our single-crystal scattering refinements reveal a bulk iodine deficiency, and Flack parameter measurements on multiple crystals demonstrate that separate (TaSe 4 ) 2 I crystals have uniform handedness, supported by direct imaging and helicity-dependent terahertz emission spectroscopy. Our single-crystal x-ray scattering and calculated diffraction patterns identify multiple diffuse features and create a real-space picture of the temperature-dependent (TaSe 4 ) 2 I crystal structure. Further, the short-range diffuse features are present at room temperature and decrease in intensity as the CDW modulation develops. These transverse displacements, along with electron pinning from the iodine deficiency, help explain why (TaSe 4 ) 2 I behaves as an electronic semiconductor at temperatures above and below $T$ CDW , despite a metallic band structure calculated from density functional theory of the ideal structure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Dark C P violation and gauged lepton or baryon number for electroweak baryogenesis

We explore the generation of the baryon asymmetry in an extension of the standard model where the lepton number is promoted to a U(1)ℓ gauge symmetry with an associated Z' gauge boson. This is based on a novel electroweak baryogenesis mechanism first proposed by us in Ref. Extra fermionic degrees of freedom, including a fermionic dark matter χ, are introduced in the dark sector for anomaly cancellation. The lepton number is spontaneously broken at high scale and the effective theory, containing the standard model, the Z', the fermionic dark matter, and an additional complex scalar field S, violates CP in the dark sector. The complex scalar field couples to the Higgs portal and is essential in enabling a strong first order phase transition. Dark CP violation is diffused in front of the bubble walls and creates a chiral asymmetry for χ, which in turn creates a chemical potential for the standard model leptons. Weak sphalerons are then in charge of transforming the net lepton charge asymmetry into net baryon number. We explore the model phenomenology related to the leptophilic Z', the dark matter candidate, the Higgs boson, and the additional scalar, as well as implications for electric dipole moments. We also discuss the case when baryon number U(1)B is promoted to a gauge symmetry, and discuss electroweak baryogenesis and its corresponding phenomenology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Electrical Control of Spin and Valley in Spin-Orbit Coupled Graphene Multilayers

Electrical control of magnetism has been a major technological pursuit of the spintronics community, owing to its far-reaching implications for data storage and transmission. Here, in this study, we propose and analyze a new mechanism for electrical switching of isospin, using chiral-stacked graphene multilayers, such as Bernal bilayer graphene or rhombohedral trilayer graphene, encapsulated by transition metal dichalcogenide (TMD) substrates. Leveraging the proximity-induced spin-orbit coupling from the TMD, we demonstrate electrical switching of correlation-induced spin and/or valley polarization, by reversing a perpendicular displacement field or the chemical potential. We substantiate our proposal with both analytical arguments and self-consistent Hartree-Fock numerics. Finally, we illustrate how the relative alignment of the TMDs, together with the top and bottom gate voltages, can be used to selectively switch distinct isospin flavors, putting forward correlated Van der Waals heterostructures as a promising platform for spintronics and valleytronics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Enhancement of chiral edge currents in ($d$+1)-dimensional atomic Mott-band hybrid insulators

We consider the effect of a local interatomic repulsion on synthetic heterostructures where a discrete synthetic dimension is created by Raman processes on top of SU(N) S U ( N ) -symmetric two-dimensional lattice systems. At a filling of one fermion per site, increasing the interaction strength, the system is driven towards a Mott state which is adiabatically connected to a band insulator. The chiral currents associated with the synthetic magnetic field increase all the way to the Mott transition, where they reach the maximum value, and they remain finite in the whole insulating state. The transition towards the Mott-band insulator is associated with the opening of a gap within the low-energy quasiparticle peak, while a mean-field picture is recovered deep in the insulating state.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Two-step charge density wave transition and hidden transient phase in 1 T – TiSe 2

Using variable temperature atomic pair distribution function analysis, we study the emergence of charge density wave (CDW) order in 1T-TiSe 2 and find that it takes place via a two-step transition. First, upon decreasing temperature to about 235(3) K, CDW related lattice distortions emerge in the individual TiSe 2 layers alone. Then, upon further decreasing the temperature, the two-dimensional distortions in the layers couple and the widely recognized three-dimensional 2a o x 2a o x 2c o superstructure emerges at about 205(3) K. Because two different band gaps are known to emerge at the same temperatures, the finding indicates the presence of strong electron-phonon coupling. The transient phase between the two steps lacks inversion symmetry and may serve as a precursor of the debated chiral 1T-TiSe 2 phase. Finally, our findings are important for the understanding of the enigmatic CDW transition in 1T-TiSe 2 and CDW instabilities in van der Waals materials in general.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Signatures of polarized chiral spin disproportionation in rare earth nickelates

In rare earth nickelates (RENiO 3 ), electron-lattice coupling drives a concurrent metal-to-insulator and bond disproportionation phase transition whose microscopic origin has long been the subject of active debate. Of several proposed mechanisms, here we test the hypothesis that pairs of self-doped ligand holes spatially condense to provide local spin moments that are antiferromagnetically coupled to Ni spins. These singlet-like states provide a basis for long-range bond and spiral spin order. Using magnetic resonant X-ray scattering on NdNiO 3 thin films, we observe the chiral nature of the spin disproportionated state, with spin spirals propagating along the crystallographic (101) ortho direction. These spin spirals are found to preferentially couple to X-ray helicity, establishing the presence of a hitherto-unobserved macroscopic chirality. The presence of this chiral magnetic configuration suggests a potential multiferroic coupling between the noncollinear magnetic arrangement and improper ferroelectric behavior as observed in prior studies on NdNiO 3 (101) ortho films and RENiO 3 single crystals. Experimentally constrained theoretical double-cluster calculations confirm the presence of an energetically stable spin-disproportionated state with Zhang-Rice singlet-like combinations of Ni and ligand moments

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Field-tunable toroidal moment in a chiral-lattice magnet

Abstract Ferrotoroidal order, which represents a spontaneous arrangement of toroidal moments, has recently been found in a few linear magnetoelectric materials. However, tuning toroidal moments in these materials is challenging. Here, we report switching between ferritoroidal and ferrotoroidal phases by a small magnetic field, in a chiral triangular-lattice magnet BaCoSiO 4 with tri-spin vortices. Upon applying a magnetic field, we observe multi-stair metamagnetic transitions, characterized by equidistant steps in the net magnetic and toroidal moments. This highly unusual ferri-ferroic order appears to come as a result of an unusual hierarchy of frustrated isotropic exchange couplings revealed by first principle calculations, and the antisymmetric exchange interactions driven by the structural chirality. In contrast to the previously known toroidal materials identified via a linear magnetoelectric effect, BaCoSiO 4 is a qualitatively new multiferroic with an unusual coupling between several different orders, and opens up new avenues for realizing easily tunable toroidal orders.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Flat Bands and Chiral Optical Response of Moiré Insulators

Here, we present a low-energy model describing the reconstruction of the electronic spectrum in twisted bilayers of honeycomb crystals with broken sublattice symmetry. The resulting moiré patterns are classified into two families with different symmetry. In both cases, flat bands appear at relatively large angles without any magic-angle condition. Transitions between them give rise to sharp resonances in the optical absorption spectrum at frequencies well below the gap of the monolayer. Owing to their chiral symmetry, twisted bilayers display circular dichroism, that is, different absorption of left and right circularly polarized light. This optical activity is a nonlocal property determined by the stacking. In hexagonal boron nitride, sensitivity to the stacking leads to strikingly different circular dichroism in the two types of moirés. Our calculations exemplify how subtle properties of the electronic wave functions, encoded in current correlations between the layers, control physical observables of moiré materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Ferromagnetic MnBi 4 Te 7 obtained with low-concentration Sb doping: A promising platform for exploring topological quantum states

The tuning of the magnetic phase, chemical potential, and structure is crucial to observe diverse exotic topological quantum states in Mn Bi 2 Te 4 (Bi 2 Te 3 ) m (m = 0–3). Here we show a ferromagnetic (FM) phase with a chiral crystal structure in Mn (Bi 1–x Sb x ) 4 Te 7 , obtained via tuning the growth conditions and Sb concentration. Unlike previously reported Mn (Bi 1–x Sb x ) 4 Te 7 , which exhibits FM transitions only at high Sb doping levels, our samples show FM transitions (T C = 13.5 K) at 15%–27% doping levels. Furthermore, our single-crystal x-ray-diffraction structure refinements find Sb doping leads to a chiral structure with the space group of P3, contrasted with the centrosymmetric $P\bar{3}m1$ crystal structure of the parent compound MnBi 4 Te 7 . Through angle-resolved photoemission spectroscopy measurements, we also demonstrated that the nontrivial band topology is preserved in the Sb-doped FM samples. Given that the nontrivial band topology of this system remains robust for low Sb doping levels, our success in making FM Mn(Bi 1–x Sb x ) 4 Te 7 with x = 0.15, 0.175, 0.2, and 0.27 paves the way for realizing the predicted topological quantum states, such as the axion insulator and Weyl semimetals. Additionally, we also observed magnetic glassy behavior in both antiferromagnetic MnBi 4 Te 7 and FM Mn (Bi 1–x Sb x )4 Te 7 samples, which we believe originates from cluster spin-glass phases coexisting with long-range antiferromagnetic/FM orders. Further, we have also discussed how the antisite Mn ions impact the interlayer magnetic coupling and how FM interlayer coupling is stabilized in this system.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Microscopic Imaging Homogeneous and Single Phase Superfluid Density in $\mathrm{UTe_2}$

Odd-parity superconductor $\mathrm{UTe_2}$ shows spontaneous time-reversal symmetry breaking and multiple superconducting phases, which imply chiral superconductivity, but only in a subset of samples. Here, we microscopically observe a homogeneous superfluid density $n_s$ on the surface of $\mathrm{UTe_2}$ and an enhanced superconducting transition temperature near the edges. We also detect vortex-antivortex pairs even at zero magnetic field, indicating the existence of a hidden internal field. The temperature dependence of $n_s$, determined independent of sample geometry, does not support point nodes along the $b$ axis for a quasi-2D Fermi surface and provides no evidence for multiple phase transitions in $\mathrm{UTe_2}$.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Universality between vector-like and chiral quiver gauge theories: anomalies and domain walls

We study low-energy dynamics of [SU($\textit{N}$)]$^K$ chiral quiver gauge theories in connection with $\mathcal{N}$ = 1 super Yang-Mills (SYM) theory, and quantum chromodynamics with bi-fundamental fermions (QCD(BF)). These theories can be obtained by $\mathbb Z_K$ orbifold projections of $\mathcal{N}$ = 1 SU($\textit{N K}$) SYM theory, but the perturbative planar equivalence does not extend nonperturbatively for $\textit{K}$ ≥ 3. In order to study low-energy behaviors, we analyze these systems using ’t Hooft anomaly matching and reliable semiclassics on $\mathbb R^3 × S^1$. Thanks to ’t Hooft anomaly that involves 1-form center symmetry and discrete chiral symmetry, we predict that chiral symmetry must be spontaneously broken in the confinement phase, and there exist $\textit{N}$ vacua. Theories with even $\textit{K}$ possess a physical θ angle despite the presence of massless fermions, and we further predict the $\textit{N}$-branch structure associated with it; the number of vacua is enhanced to 2$\textit{N}$ at θ = π due to spontaneous $\textit{C P}$ breaking. Both of these predictions are explicitly confirmed by reliable semiclassics on $\mathbb R^3 × S^1$ with the double-trace deformation. Symmetry and anomaly of odd-$\textit{K}$ theories are the same as those of the $\mathcal{N}$ = 1 SYM, and the ones of even-$\textit{K}$ theories are same as those of QCD(BF). We unveil why there exists universality between vector-like and chiral quiver theories, and conjecture that their ground states can be continuously deformed without quantum phase transitions. We briefly discuss anomaly inflow on the domain walls connecting the vacua of the theory and possible anomaly matching scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Ligand-Induced Size-Dependent Circular Dichroism in Quantum Dots

Recent experiments have probed the chiral properties of semiconductor nanocrystal (NC) quantum dots (QDs), but understanding the circular dichroism line shape, excitonic features, and chirality induction mechanism remains a challenge. We propose an atomistic pseudopotential method to model chiral ligand passivated QDs, computing circular dichroism (CD) spectra for CdSe QDs (2.6-3.8 nm). We find strong agreement between calculated and measured line shapes, predicting consistent bisignate line shapes with decreasing CD magnitude as size increases. Further, our analysis reveals the origin of bisignate line shapes, arising from nondegenerate excitons with opposing angular momenta. We also explore the impact of chiral ligand orientation on QD surfaces, observing changes in the optical activity magnitude and sign. This orientation sensitivity offers the means to distinguish ordered from disordered ligand configurations, facilitating the study of order-disorder transitions at ligand-QD interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Intertwined Topological and Magnetic Orders in Atomically Thin Chern Insulator MnBi 2 Te 4

The interplay between band topology and magnetic order plays a key role in quantum states of matter. MnBi 2 Te 4 , a van der Waals magnet, has recently emerged as an exciting platform for exploring Chern insulator physics. Its layered antiferromagnetic order was predicted to enable even-odd layer-number dependent topological states, supported by promising edge transport measurements. Furthermore, it becomes a Chern insulator when all spins are aligned by an applied magnetic field. However, the evolution of the bulk electronic structure as the magnetic state is continuously tuned and its dependence on layer number remains unexplored. Here, employing multimodal probes, we establish oneto-one correspondence between bulk electronic structure, magnetic state, topological order, and layer thickness in atomically thin MnBi 2 Te 4 devices. As the magnetic state is tuned through the canted magnetic phase, we observe a band crossing, i.e., the closing and reopening of the bulk bandgap, corresponding to the concurrent topological phase transition. Surprisingly, we find that the even- and odd-layer number devices exhibit a similar topological phase transition coupled to magnetic states, distinct from recent theoretical and experimental reports. Our findings shed new light on the interplay between band topology and magnetic order in this newly discovered topological magnet and validate the band crossing with concurrent measurements of topological invariant in a continuously tuned topological phase transition.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Thermal Hysteresis and Ordering Behavior of Magnetic Skyrmion Lattices

The physics of phase transitions in two-dimensional (2D) systems underpins research in diverse fields including statistical mechanics, nanomagnetism, and soft condensed matter. However, many aspects of 2D phase transitions are still not well understood, including the effects of interparticle potential, polydispersity, and particle shape. Magnetic skyrmions are chiral spin-structure quasi-particles that form two-dimensional lattices. Here, in this study, we show, by real-space imaging using in situ cryo-Lorentz transmission electron microscopy coupled with machine learning image analysis, the ordering behavior of Néel skyrmion lattices in van der Waals Fe 3 GeTe 2 . We demonstrate a distinct change in the skyrmion size distribution during field-cooling, which leads to a loss of lattice order and an evolution of the skyrmion liquid phase. Remarkably, the lattice order is restored during field heating and demonstrates a thermal hysteresis. This behavior is explained by the skyrmion energy landscape and demonstrates the potential to control the lattice order in 2D phase transitions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Gravitational wave signatures of a chiral fermion dark matter model

Abstract Theories in which the dark matter (DM) candidate is a fermion transforming chirally under a gauge symmetry are attractive, as the gauge symmetry would protect the DM mass. In such theories, the universe would have undergone a phase transition at early times that generated the DM mass upon spontaneous breaking of the gauge symmetry. In this paper, we explore the gravitational wave signals of a simple such theory based on an SU(2) D dark sector with a dark isospin-3/2 fermion serving as the DM candidate. This is arguably the simplest chiral theory possible. The scalar sector consists of a dark isospin-3 multiple, which breaks the SU(2) D gauge symmetry and also generates the DM mass. We construct the full thermal potential of the model and identify regions of parameter space which lead to detectable gravitational wave signals, arising from a strong first-order SU(2) D phase transition, in various planned space-based interferometers, while also being consistent with dark matter relic abundance. The bulk of the parameter space exhibiting detectable gravitational wave signals in the model also has large WIMP-nucleon scattering cross sections, ℴSI, which could be probed in upcoming direct detection experiments.

Astronomy & Astrophysics↗