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DOE OSTI2023

Neutron scattering study of fluctuating and static spin correlations in the anisotropic spin glass Fe 2 Ti O 5

The anisotropic spin-glass transition, in which spin freezing is observed only along the c axis in pseudobrookite Fe 2 TiO 5 , has long been perplexing because the Fe 3+ moments (d 5 ) are expected to be isotropic. Recently, neutron diffraction demonstrated that surfboard-shaped antiferromagnetic nanoregions coalesce above the glass transition temperature T g ≈55K, and a model was proposed in which the freezing of the surfboard magnetization fluctuations leads to the anisotropic spin-glass state. Given this model, we have carried out high-resolution inelastic neutron scattering measurements of the spin-spin correlations to understand the temperature dependence of the intrasurfboard spin dynamics on neutron (picosecond) timescales. Here, in this paper, we report on the temperature-dependence of the spin fluctuations measured from single-crystal Fe 2 TiO 5 . Strong quasi-elastic magnetic scattering, arising from intrasurfboard correlations, is observed well above T g . The spin fluctuations possess a steep energy–wave vector relation and are indicative of strong exchange interactions, consistent with the large Curie-Weiss temperature. As the temperature approaches T g from above, a shift in spectral weight from inelastic to elastic scattering is observed. At various temperatures between 4 and 300 K, a characteristic relaxation rate of the fluctuations is determined. Despite the freezing of most of the spin correlations, an inelastic contribution remains even at base temperature, signifying the presence of fluctuating intrasurfboard spin correlations to at least T/T g ≈0.1 , consistent with an energy landscape that is a hybrid between conventional and geometrically frustrated spin glasses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Robust d x 2 - y 2 -wave superconductivity of infinite-layer nickelates

Motivated by the recent observation of superconductivity in strontium-doped NdNiO 2 , we study the superconducting instabilities in this system from various vantage points. Starting with first-principles calculations, we construct two distinct tight-binding models, a simpler single-orbital as well as a three-orbital model, both of which capture the key low-energy degrees of freedom to varying degrees of accuracy. We study superconductivity in both models using the random phase approximation. We then analyze the problem at stronger coupling, and study the dominant pairing instability in the associated t-J model limit. Finally, in all instances, the dominant pairing tendency is in the d x 2 -y 2 channel, analogous to the cuprate superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Skyrmion superconductivity: DMRG evidence for a topological route to superconductivity

It was recently suggested that the topology of magic-angle twisted bilayer graphene's (MATBG) flat bands could provide a novel mechanism for superconductivity distinct from both weakly coupled BCS theory and the d-wave phenomenology of the high-T c cuprates. In this work, we examine this possibility using a density matrix renormalization group (DMRG) study of a model which captures the essential features of MATBG's symmetry and topology. Here, using large-scale cylinder-DMRG calculations to obtain the ground state and its excitations as a function of the electron doping, we find clear evidence for superconductivity driven by the binding of electrons into charge-2e skyrmions. Remarkably, this binding is observed even in the regime where the unscreened Coulomb repulsion is by far the largest energy scale, demonstrating the robustness of this topological, all-electronic pairing mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Topological d -wave superconductivity in two dimensions

Despite intensive searches for topological superconductors, the realization of topological superconductivity remains under debate. Previous proposals for the topological s-wave, p-wave, and chiral d-wave superconductivity have both advantages and disadvantages. In this review, we discuss two-dimensional topological superconductivity based on the non-chiral d-wave superconductors. It is shown that the noncentrosymmetric d-wave superconductors become topological superconductors under an infinitesimal Zeeman field without fine-tuning of parameters. Additionally, Floquet engineering for introducing the Zeeman field in a controllable way is also proposed. When the two-dimensional noncentrosymmetric superconductors are stacked to recover the global inversion symmetry, the field-induced parity transition may occur, and the high-field odd-parity superconducting state realizes various topological phases depending on the stacking structures. Two-dimensional heterostructures of strongly correlated electron systems, which have been developed by recent experiments, are proposed as a platform of the high-temperature topological superconductivity and the interplay of topology and strong correlations in superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Block orbital-selective Mott insulators: A spin excitation analysis

We present a comprehensive study of the spin excitations—as measured by the dynamical spin structure factor S(q,ω)—of the so-called block-magnetic state of low-dimensional orbital-selective Mott insulators. We realize this state via both a multi-orbital Hubbard model and a generalized Kondo-Heisenberg Hamiltonian. Due to various competing energy scales present in the models, the system develops periodic ferromagnetic islands of various shapes and sizes, which are antiferromagnetically coupled. The 2×2 particular case was already found experimentally in the ladder material BaFe2Se3 that becomes superconducting under pressure. Here we discuss the electronic density as well as Hubbard and Hund coupling dependence of S(q,ω) using density matrix renormalization group method. Several interesting features were identified: (1) An acoustic (dispersive spin-wave) mode develops. (2) The spin-wave bandwidth establishes a new energy scale that is strongly dependent on the size of the magnetic island and becomes abnormally small for large clusters. (3) Optical (dispersionless spin excitation) modes are present for all block states studied here. In addition, a variety of phenomenological spin Hamiltonians have been investigated but none matches entirely our results that were obtained primarily at intermediate Hubbard U strengths. Our comprehensive analysis provides theoretical guidance and motivation to crystal growers to search for appropriate candidate materials to realize the block states, and to neutron scattering experimentalists to confirm the exotic dynamical magnetic properties unveiled here, with a rich mixture of acoustic and optical features.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Triton Initiative: FY22 Communications, Outreach, and Engagement End-of-Year Report

The Department of Energy (DOE) Water Power Technologies Office (WPTO) Triton Initiative supports the advancement of the marine energy (ME) industry through environmental monitoring research and technology development. This report presents the results and analysis of the Triton Initiative’s communications, outreach, and engagement (TCOE) efforts in fiscal year 2022. The primary TCOE goals were to: (1) educate and raise awareness of ME and the role of Triton's environmental monitoring research in supporting the industry; (2) build trust with audiences through transparent communications and outreach; and (3) evaluate and refine TCOE tactics based on feedback and metrics. To support these goals, the TCOE team used multiple platforms and approaches. Notable achievements include: (1) 12 newsletter issues sent to 185 subscribers with an average open rate of 56.4%. (2) 10 Triton Stories, resulting in 2,871 collective views contributing to 46% of all Triton website views. (3) 78 Triton-specific social media posts, which generated a total of 81,896 impressions, 1,037 post-clicks, and 7,814 video views. (4) 6,320 Triton website views with increased search engine optimization ranking in several categories. (5) 3 Triton researchers interviewed as guests on two different podcasts, Water Women and Big Deep: An Ocean Podcast. (6) A Triton special issue of the Journal of Marine Science and Engineering (JMSE) featuring 10 peer reviewed publications. All articles ranked in the top 25%, and two in the top 5%, for digital attention of all research outputs scored by Altmetric. (7) A seven-part webinar series called Triton Talks to share and discuss research and results from the research published in the JMSE special issue. Triton leveraged unique opportunities, particularly the JMSE special issue, to disseminate research results to end users, educate stakeholders, and gain valuable feedback. These concerted communication efforts increased exposure across platforms ultimately resulting in greater reach and access across audiences. Based on audience analyses of webinar attendees and newsletter subscribers, the TCOE team was able to successfully engage with general audiences, research partners, and ME stakeholders, including subject matter experts from government agencies, research organizations, and the regulatory community. The TCOE task established channels to gather input and create opportunities for two-way communication with people engaged with Triton’s outreach efforts. The feedback received will enable the TCOE team to support its goals for ongoing evaluation of outreach and engagement tools while continuing to build trust in the ME community and educate diverse audiences about the impactful research conducted by the Triton Initiative. This report is a Triton Initiative Fiscal Year 2022 Quarter 4 Milestone Deliverable due to the DOE WPTO Sponsor on 9/30/2022. An updated version to include data through 9/30/2022 will be delivered in October 2022.

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

Intense infrared lasers for strong-field science

The advent of chirped-pulse amplification in the 1980s and femtosecond Ti:sapphire lasers in the 1990s enabled transformative advances in intense laser–matter interaction physics. Whereas most of experiments have been conducted in the limited near-infrared range of 0.8–1 μm, theories predict that many physical phenomena such as high harmonic generation in gases favor long laser wavelengths in terms of extending the high-energy cutoff. Significant progress has been made in developing few-cycle, carrier-envelope phase-stabilized, high-peak-power lasers in the 1.6–2 μm range that has laid the foundation for attosecond X ray sources in the water window. Even longer wavelength lasers are becoming available that are suitable to study light filamentation, high harmonic generation, and laser–plasma interaction in the relativistic regime. Long-wavelength lasers are suitable for sub-bandgap strong-field excitation of a wide range of solid materials, including semiconductors. In the strong-field limit, bulk crystals also produce high-order harmonics. In this review, we first introduce several important wavelength scaling laws in strong-field physics, then describe recent breakthroughs in short- (1.4–3 μm), mid- (3–8 μm), and long-wave (8–15 μm) infrared laser technology, and finally provide examples of strong-field applications of these novel lasers. Furthermore, some of the broadband ultrafast infrared lasers will have profound effects on medicine, environmental protection, and national defense, because their wavelengths cover the water absorption band, the molecular fingerprint region, as well as the atmospheric infrared transparent window.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Giant microwave absorption in the vortex lattice in s -wave superconductors

In this article we study microwave absorption in superconductors in the presence of a vortex lattice. Here, we show that in addition to the conventional absorption mechanism associated with the vortex core motion, there is another mechanism of microwave absorption, which is caused by the time dependence of the quasiparticle density of states outside the vortex cores. This mechanism exists even in the absence of vortex motion. It provides the dominant contribution to microwave absorption at sufficiently small magnetic fields. At low frequencies, the dissipative part of the microwave conductivity σ⁡(ω) is proportional to the inelastic relaxation time τ in , which is typically much larger than the elastic relaxation time τ el . At high frequencies σ⁡(ω) is proportional to the quasiparticle diffusion time across the intervortex distance τ D , which is still larger than τ el .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Giant microwave absorption in s- and d- wave superconductors

We discuss a new mechanism of microwave absorption in s- and d-wave superconductors, which arises in the presence of a dc supercurrent in the system. It produces a contribution to the ac conductivity that is proportional to the inelastic quasiparticle relaxation time. This contribution also determines the supercurrent dependence of the conductivity. It may significantly exceed the conventional contribution because in typical superconductors the inelastic relaxation time is several orders of magnitude longer than the elastic one. We show that the aforementioned contribution to the conductivity may be expressed in terms of the single particle density of states in superconductors in the presence of a dc supercurrent. Our results may enable determination of the inelastic relaxation time in superconductors from microwave absorption measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Complex magnetic order in the decorated spin-chain system Rb 2 Mn 3 ( MoO 4 ) 3 ( OH ) 2

The macroscopic magnetic properties and microscopic magnetic structure of Rb 2 Mn 3 (MoO 4 ) 3 (OH) 2 (space group Pn ma) are investigated by magnetization, heat capacity, and single-crystal neutron diffraction measurements. The compound's crystal structure contains bond-alternating [Mn 3 O 11 ] ∞ chains along the b axis, formed by isosceles triangles of Mn ions occupying two crystallographically nonequivalent sites (the Mn1 site on the base and Mn2 site on the vertex). These chains are only weakly linked to each other by nonmagnetic oxyanions. Both superconducting quantum interference device magnetometry and neutron diffraction experiments show two successive magnetic transitions as a function of temperature. On cooling, it transitions from a paramagnetic phase into an incommensurate phase below 4.5 K with a magnetic wave vector near k 1 = ( 0 , 0.46 , 0 ). An additional commensurate antiferromagnetically ordered component arises with k 2 = ( 0, 0, 0), forming a complex magnetic structure below 3.5 K with two different propagation vectors of different stars. On further cooling, the incommensurate wave vector undergoes a lock-in transition below 2.3 K. The experimental results suggest that the magnetic superspace group is Pnma. 1' (0b0) s0ss for the single- k incommensurate phase and is Pn' m a ( 0 b 0 ) 00 s for the two- k magnetic phase. We propose a simplified magnetic structure model taking into account the major ordered contributions, where the commensurate k 2 defines the ordering of the c-axis component of the Mn1 magnetic moment, while the incommensurate k 1 describes the ordering of the ab -plane components of both Mn1 and Mn2 moments into elliptical cycloids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spin dynamics of the spin-chain antiferromagnet RbFeS 2

In this work, we report transport and inelastic neutron scattering studies on electronic properties and spin dynamics of the quasi-one-dimensional spin-chain antiferromagnet RbFeS 2 . An antiferromagnetic phase transition at TN≈195 K and dispersive spin waves with a spin gap of 5 meV are observed. By modeling the spin excitation spectra using linear spin wave theory, intra and interchain exchange interactions are found to be SJ 1 =100(5) meV and SJ 3 =0.9(3) meV, respectively, together with a small single-ion anisotropy of SD zz =0.04(1) meV. Comparison with previous results for other materials in the same class of Fe 3+ spin-chain systems reveals that although the magnetic order sizes show significant variation from 1.8 to 3.0μ B within the family of materials, the exchange interactions SJ are nevertheless quite similar, analogous to the iron pnictide superconductors where both localized and delocalized electrons contribute to the spin dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Strongly anisotropic electronic and magnetic structures in oxide dichlorides RuOCl 2 and OsOCl 2

The van der Waals oxide dichlorides MOX 2 (M=V, Ta, Nb, Ru, and Os; X=halogen element), with different electronic densities, are attracting considerable attention. Ferroelectricity, spin-singlet formation, and orbital-selective Peierls phases were reported in this family with d 1 or d 2 electronic configurations, all believed to be caused by the strongly anisotropic electronic orbital degree of freedom. Here, using density functional theory and density matrix renormalization group methods, we investigate the electronic and magnetic properties of RuOCl 2 and OsOCl 2 with d 4 electronic configurations. Different from a previous study using VOI 2 with d 1 configuration, these systems with 4d4 or 5d4 do not exhibit a ferroelectric instability along the a axis. Due to the fully occupied dxy orbital in RuOCl 2 and OsOCl 2 , the Peierls instability distortion disappears along the b axis, leading to an undistorted Immm phase (No. 71). Furthermore, we observe strongly anisotropic electronic and magnetic structures along the a axis. For this reason, the materials of our focus can be regarded as “effective one-dimensional” systems even when they apparently have a dominant two-dimensional lattice geometry. The large crystal-field splitting energy (between dxz/yz and dxy orbitals) and large hopping between nearest-neighbor Ru and Os atoms suppresses the J = 0 singlet state in MOCl 2 (M=Ru or Os) with electronic density n = 4, resulting in a spin-1 system. Moreover, we find staggered antiferromagnetic order with π wave vector along the M-O chain direction (a axis) while the magnetic coupling along the b axis is weak. Based on Wannier functions from first-principles calculations, we calculated the relevant hopping amplitudes and crystal-field splitting energies of the t 2g orbitals for the Os atoms to construct a multiorbital Hubbard model for the M-O chains. Staggered AFM with ↑|-|↓-↑|-|↓ spin structure dominates in our density matrix renormalization group calculations, in agreement with density functional theory calculations. Our results for RuOCl 2 and OsOCl 2 provide guidance to experimentalists and theorists working on this interesting family of oxide dichlorides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Measuring the Debye energy in superconductors via two-electron photoemission spectroscopy

In this work, we demonstrate theoretically that double angle resolved photoemission spectroscopy (2eARPES) can directly probe the existence of Cooper pairs away from the Fermi surface, and can thus provide insight into the characteristic energy scale around the Fermi surface, the Debye energy, in which electrons are bound into Cooper pairs. To this end, we compute the photoelectron counting rate 𝑃 (2) in two different types of unconventional superconductors, a 𝑑 𝑥 2 −𝑦 2 -wave superconductor, and a topological superconductor with a broken time-reversal symmetry. We show that 𝑃 (2) provides insight into the relative strength of intra- and interband pairing in multiband systems, as well as into the spin polarization of the bands.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Unveiling in-gap states and Majorana zero modes in superconductor-topological insulator bilayer model

Interfaces between topological insulators and superconductors (SCs) are promising platforms for realizing Majorana zero modes (MZMs) via the superconducting proximity effect. We introduce a bilayer model consisting of the surface states of a three-dimensional topological insulator (3DTI) coupled to an 𝑠-wave superconductor and systematically study the role of interlayer tunneling strength (𝑡⊥) motivated by the recent growth of the Fe⁡(Te,Se)/Bi 2 ⁢Te 3 heterostructure. We find that increasing 𝑡⊥ shifts the proximity-induced (PrI) gap minimum away from the Γ point, giving rise to momentum-selective interference patterns that manifest as spatial oscillations in the in-gap states. We introduce an antidot with a magnetic vortex in the model and investigate the resulting in-gap states, including MZMs and Caroli–de Gennes–Matricon (CdGM) modes. With increasing hybridization strength, the energy separation between MZMs and CdGM states increases, enhancing the isolation of MZMs. Importantly, in the strong hybridization limit, the leading CdGM separation remains large in spite of the decrease in the PrI gap. Spin- and spatially resolved wavefunction analysis reveals angular momentum asymmetries absent in conventional 𝑠-wave systems. A direct comparison with a standalone 𝑠-wave superconductor confirms the emergence of distinct 𝑝-wave-like features in the bilayer geometry. Our results provide experimentally relevant predictions for tuning the stability of MZMs and their differentiation from the CdGM modes in SC-3DTI heterostructures and offer a theoretical framework for probing unconventional superconductivity in engineered topological systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Interference of chiral Andreev edge states

The search for topological excitations such as Majorana fermions has spurred interest in the boundaries between distinct quantum states. Here, we explore an interface between two prototypical phases of electrons with conceptually different ground states: the integer quantum Hall insulator and the s-wave superconductor. We find clear signatures of hybridized electron and hole states similar to chiral Majorana fermions, to which we refer as chiral Andreev edge states (CAES). They propagate along the interface in the direction determined by magnetic field and their interference can turn an incoming electron into an outgoing electron or a hole, depending on the phase accumulated by the CAES along their path. Our results demonstrate that these excitations can propagate and interfere over a significant length, opening future possibilities for their coherent manipulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Fractional Chern insulators in magic-angle twisted bilayer graphene

Fractional Chern insulators (FCIs) are lattice analogues of fractional quantum Hall states that may provide a new avenue towards manipulating non-Abelian excitations. Early theoretical studies have predicted their existence in systems with flat Chern bands and highlighted the critical role of a particular quantum geometry. However, FCI states have been observed only in Bernal-stacked bilayer graphene (BLG) aligned with hexagonal boron nitride (hBN), in which a very large magnetic field is responsible for the existence of the Chern bands, precluding the realization of FCIs at zero field. By contrast, magic-angle twisted BLG supports flat Chern bands at zero magnetic field and therefore offers a promising route towards stabilizing zero-field FCIs. Here we report the observation of eight FCI states at low magnetic field in magic-angle twisted BLG enabled by high-resolution local compressibility measurements. The first of these states emerge at 5 T, and their appearance is accompanied by the simultaneous disappearance of nearby topologically trivial charge density wave states. We demonstrate that, unlike the case of the BLG/hBN platform, the principal role of the weak magnetic field is merely to redistribute the Berry curvature of the native Chern bands and thereby realize a quantum geometry favourable for the emergence of FCIs. Our findings strongly suggest that FCIs may be realized at zero magnetic field and pave the way for the exploration and manipulation of anyonic excitations in flat moiré Chern bands.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Kramers nodal lines and Weyl fermions in SmAlSi

Kramers nodal lines (KNLs) have recently been proposed theoretically as a special type of Weyl line degeneracy connecting time-reversal invariant momenta. KNLs are robust to spin orbit coupling and are inherent to all non-centrosymmetric achiral crystal structures, leading to unusual spin, magneto-electric, and optical properties. However, their existence in in real quantum materials has not been experimentally established. Here we gather the experimental evidence pointing at the presence of KNLs in SmAlSi, a non-centrosymmetric metal that develops incommensurate spin density wave order at low temperature. Using angle-resolved photoemission spectroscopy, density functional theory calculations, and magneto-transport methods, we provide evidence suggesting the presence of KNLs, together with observing Weyl fermions under the broken inversion symmetry in the paramagnetic phase of SmAlSi. We discuss the nesting possibilities regarding the emergent magnetic orders in SmAlSi. Our results provide a solid basis of experimental observations for exploring correlated topology in SmAlSi.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Phase-resolved electrical detection of coherently coupled magnonic devices

We demonstrate the electrical detection of magnon-magnon hybrid dynamics in yttrium iron garnet/Permalloy (YIG/Py) thin film bilayer devices. Direct microwave current injection through the conductive Py layer excites the hybrid dynamics consisting of the uniform mode of Py and the first standing spin wave (n=1) mode of YIG, which are coupled via interfacial exchange. Both the two hybrid modes, with Py- or YIG-dominated excitations, can be detected via the spin rectification signals from the conductive Py layer, providing phase resolution of the coupled dynamics. The phase characterization is also applied to a nonlocally excited Py device, revealing the additional phase shift due to the perpendicular Oersted field. Our results provide a device platform for exploring hybrid magnonic dynamics and probing their phases, which are crucial for implementing coherent information processing with magnon excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗