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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 199 records · Page 11

Fermi Gases in Bichromatic Superlattices

The purpose of the program is the broad study of designer materials made of ultra-cold atoms and light, which provides new paradigms for emulating exotic layered systems. Bichromatic superlattices enable control and study of both dimensionality and dispersion in layered, strongly correlated Fermi gases, to model high-temperature superfluidity/superconductivity. Most layered materials are quasi-two-dimensional, neither two-dimensional, like a sheet, nor three-dimensional, like a gas, but somewhere in between. In quasi-2D layers with an unequal number of spin-up and spin-down electrons, particularly strong attraction between pairs of electrons with opposite spins is predicted to achieve the highest possible superconducting transition temperatures. To understand these materials, we emulate them with a layered, ultra-cold Fermi gas of 6Li atoms, magnetically tuned near a collisional (Feshbach) resonance, where precise control of the attraction, spin-composition, dimensionality and dispersion provides new tests of theory. The primary goals are of the program are: (1) Elucidation of the effects of dimensionality and confining potential shape on the enhancement of high-temperature superfluidity in a layered, strongly correlated Fermi gases; (2) Control of dispersion and the study of tunable Dirac points in one dimension.

36 MATERIALS SCIENCE↗

Towards controlled synthesis of 2D crystals by chemical vapor deposition (CVD)

We report the emergence of two-dimensional (2D) materials has captured the imagination of researchers since graphene was first exfoliated from graphite in 2004. Their exotic properties give rise to many exciting potential applications in advanced electronic, optoelectronic, energy and biomedical technologies. Scalable growth of high quality 2D materials is crucial for their adoption in technological applications the same way the arrival of high quality silicon single crystals was to the semiconductor industry. A huge amount of effort has been devoted to grow large-area, highly crystalline 2D crystals such as graphene and transition metal dichalcogenides (TMDs) through various methods. While CVD growth of wafer-scale monolayer graphene and TMDs has been demonstrated, considerable challenges still remain. In this perspective, we advocate for the focus on the crystal growth morphology as an underpinning for understanding, diagnosing and controlling the CVD process and environment for 2D material growth. Like snowflakes in nature, 2D crystals exhibit a rich variety of morphologies under different growth conditions. The mapping of crystal shapes in the growth parameter space “encodes” a wealth of information, the deciphering of which will lead to better understanding of the fundamental growth mechanism and materials properties. To this end, we envision a collective effort by the 2D materials community to establish the correlation between crystal shapes and the intrinsic thermodynamic and kinetic parameters for CVD reactions through integrated crystal growth experiment, database development and machine learning assisted predictive modeling, which will pave a robust path towards controlled synthesis of 2D materials and heterostructures.

36 MATERIALS SCIENCE↗

Quantum simulation of an exotic quantum critical point in a two-site charge Kondo circuit

Tuning a material to the cusp between two distinct ground states can produce physical properties that are unlike those in either of the neighbouring phases. Advances in the fabrication and control of quantum systems have raised the tantalizing prospect of artificial quantum simulators that can capture such behaviour. A tunable array of coupled qubits should have an appropriately rich phase diagram, but realizing such a system with either tunnel-coupled semiconductor quantum dots or metal nanostructures has proven difficult. The challenge for scaling up to clusters or lattices is to ensure that each element behaves essentially identically and that the coupling between elements is uniform, while also maintaining tunability of the interactions. Here we study a nanoelectronic circuit comprising two coupled hybrid metal–semiconductor islands, combining the strengths of both materials to form a potentially scalable platform. The semiconductor component allows for controllable inter-site couplings at quantum point contacts, while the metal component’s effective continuum of states means that different sites can be made equivalent by tuning local potentials. The couplings afforded by this architecture can realize an unusual quantum critical point resulting from frustrated Kondo interactions. In this study, the observed critical behaviour matches theoretical predictions, verifying the success of our experimental quantum simulation.

36 MATERIALS SCIENCE↗

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↗

Giant Anisotropic Magnetoresistance in Few-Layer α-RuCl 3 Tunnel Junctions

The spin–orbit-assisted Mott insulator α-RuCl 3 is proximate to the coveted quantum spin liquid (QSL) predicted by the Kitaev model. In the search for the pure Kitaev QSL, reducing the dimensionality of this frustrated magnet by exfoliation has been proposed as a way to enhance magnetic fluctuations and Kitaev interactions. Here, in this work, we perform angle-dependent tunneling magnetoresistance (TMR) measurements on ultrathin α-RuCl 3 crystals with various layer numbers to probe their magnetic, electronic, and crystal structures. We observe a giant change in resistance, as large as ~2500%, when the magnetic field rotates either within or out of the α-RuCl 3 plane, a manifestation of the strongly anisotropic spin interactions in this material. In combination with scanning transmission electron microscopy, this tunneling anisotropic magnetoresistance (TAMR) reveals that few-layer α-RuCl 3 crystals remain in the high-temperature monoclinic phase at low temperatures. It also shows the presence of a zigzag antiferromagnetic order below the critical temperature T N ≃ 14 K, which is twice the one typically observed in bulk samples with rhombohedral stacking. Our work offers valuable insights into the relation between the stacking order and magnetic properties of this material, which helps lay the groundwork for creating and electrically probing exotic magnetic phases such as QSLs via van der Waals engineering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Magnetic oxygen in transition metal oxides: A case study of Ba 2 CoO 4

Transition metal oxides (TMOs) exhibit exotic magnetic properties in both naturally formed and artificially structured materials, often difficult to understand in conventional wisdom. Magnetic insulator Ba 2 CoO 4 has mystified the community, because the CoO 4 tetrahedron is completely isolated with the nearest Co atoms far apart (~5 Å), making it impossible to account for long-range magnetic ordering seen experimentally using only Co. By theoretically investigating magnetism and relating our findings to experimental observations in bulk Ba 2 CoO 4 , we illustrate for the first time that the magnetic moment on oxygen atoms are the origin of the unexpected long-range magnetic ordering and low magnetic dimensionality. We find that the magnetic moment is not only localized on Co atoms, as assumed in all conventional data analysis, but also distributed on its tetrahedrally-coordinated O atoms. The total magnetic moment of the CoO 4 building block is 4.63μ B with the magnetic moment on Co being only 3.08μ B . Therefore, the magnetic building block is CoO 4 not Co. Furthermore, our first principles calculations are capable of explaining the origin of the unique magnetic response, including the presence of long-range magnetic ordering with two-dimensional character, and a one-dimensional magnetoelastic behavior. Having oxygen contribute to the magnetic moment will undoubtedly be identified as a universal property of magnetic TMOs, which will require a fresh look at conventional models of magnetism in TMOs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultrafast X-Ray Scattering Reveals Composite Amplitude Collective Mode in the Weyl Charge Density Wave Material ( TaSe 4 ) 2 I

Here we report ultrafast x-ray scattering experiments of the quasi-1D charge density wave (CDW) material (TaSe 4 ) 2⁢ I following ultrafast infrared photoexcitation. From the time-dependent diffraction signal at the CDW sidebands we identify a 0.11 THz amplitude mode derived primarily from a transverse acoustic mode of the high-symmetry structure. From our measurements we determine that this mode interacts with the valence charge indirectly through another collective mode, and that the CDW system in (TaSe 4 ) 2 ⁢I has a composite nature supporting multiple dynamically active structural degrees of freedom.

36 MATERIALS SCIENCE↗

Studies to Improve the Sensitivity to Low Energy Interactions in Dual-Phase Xenon Dark Matter Detectors. Department of Energy Office of Science Graduate Student Research (SCGSR) Program, Final project report

Noble liquid time projection chambers (TPCs) are some of the most sensitive particle detectors ever developed. They see use in searches for new physics with neutrinos, or for new particles like dark matter. They work by sensing light and charge signals left behind by particle interactions in a volume of liquified xenon or argon. TPCs are so sensitive that even a single electron liberated in an interaction can be readily detected. However this sensitivity to signals comes with a sensitivity to background noise, with one example being single electrons that arrive long after the signals from a true particle interaction. This type of noise has been the subject of multiple studies, which have concluded that single electron backgrounds are well correlated with prior events in the TPC, as well as impurities in the detection medium. At Lawrence Livermore National Laboratory (LLNL), the XeNu TPC is a testbed for a novel study of these backgrounds by generating data with new components made of aluminum and Shapal--the latter being an exotic ceramic which can be machined using standard tools. These materials were selected to replace plastic components which introduce impurities in the TPC during operation. Without plastic, the hope is that electron backgrounds will be reduced, leaving new opportunities for studying their origins and dependence on impurities. The SCGSR fellowship served as a springboard to help meet these objectives. Over the course of a year, the new components were designed, fabricated, and installed in XeNu. Following their installation, data was taken for use in a future study that will enable the electron background contributions from plastic components to be studied directly. In the interim, preliminary analysis results indicate that electron backgrounds with the new components are roughly 50% lower. This has established the efficacy of Shapal as a low-background replacement for plastic components where electrical and thermal stability are needed

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Precise Fermi level engineering in a topological Weyl semimetal via fast ion implantation

The precise controllability of the Fermi level is a critical aspect of quantum materials. For topological Weyl semimetals, there is a pressing need to fine-tune the Fermi level to the Weyl nodes and unlock exotic electronic and optoelectronic effects associated with the divergent Berry curvature. However, in contrast to two-dimensional materials, where the Fermi level can be controlled through various techniques, the situation for bulk crystals beyond laborious chemical doping poses significant challenges. Here, we report the milli-electron-volt (meV) level ultra-fine-tuning of the Fermi level of bulk topological Weyl semimetal tantalum phosphide using accelerator-based high-energy hydrogen implantation and theory-driven planning. By calculating the desired carrier density and controlling the accelerator profiles, the Fermi level can be experimentally fine-tuned from 5 meV below, to 3.8 meV below, to 3.2 meV above the Weyl nodes. High-resolution transmission electron microscopy reveals the crystalline structure is largely maintained under irradiation, while electrical transport indicates that Weyl nodes are preserved and carrier mobility is also largely retained. Our work demonstrates the viability of this generic approach to tune the Fermi level in semimetal systems and could serve to achieve property fine-tuning for other bulk quantum materials with ultrahigh precision.

36 MATERIALS SCIENCE↗

Charge density wave fluctuation driven composite order in layered kagome metals

The newly discovered kagome metals AV 3 Sb 5 (A = K, Rb, Cs) offer an exciting route to study exotic phases arising due to interplay between electronic correlations and topology. Besides superconductivity, these materials exhibit a charge-density wave (CDW) phase occurring at ~ 100 K, whose origin still remains elusive. The robust multi-component 2 × 2 CDW phase in these systems is of great interest due to the presence of an unusually large anomalous Hall effect. In quasi-2D systems with weak inter-layer coupling fluctuation driven exotic phases may appear. In particular in systems with multi-component order parameters fluctuations may lead to establishment of composite order when only products of individual order parameters condense while the individual ones themselves remain disordered. Here we argue that such fluctuation-driven regime of composite CDW order may exist in thin films of kagome metals above the CDW transition temperature. It is suggested that the melting of the Trihexagonal state in the material doped way from the van Hove singularities gives rise to a pseudogap regime where the spectral weight is concentrated in small pockets and most of the original Fermi surface is gapped. Our findings suggest possible presence of exotic phases in the weakly coupled layered kagome metals, more so in the newly synthesized thin films of kagome metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Magnetic ground states of honeycomb lattice Wigner crystals

Lattice Wigner crystal states stabilized by long-range Coulomb interactions have recently been realized in two-dimensional moiré materials. We employ large-scale unrestricted Hartree-Fock techniques to unveil the magnetic phase diagrams of honeycomb lattice Wigner crystals. For the three lattice filling factors with the largest charge gaps, $n=2/3,1/2,1/3$, the magnetic phase diagrams contain multiple phases, including ones with non-collinear and non-coplanar spin arrangements. We discuss magnetization evolution with external magnetic field, which has potential as an experimental signature of exotic spin states. Our theoretical results could potentially be validated in moiré materials formed from group VI transition metal dichalcogenide twisted homobilayers.

36 MATERIALS SCIENCE↗

Topological Materials with Complex Long-Range Order

The overarching vision of this proposal is to understand exotic metallic behavior in frustrated quantum magnets. This problem is at the core of understanding a number of mysteries in the study of itinerant magnetism, and of high temperature superconductivity. The central challenge is that magnetic order is generally understood by localized magnetic moments. In these systems the mobile electrons form an ordered magnetic state, sometime breaking sharp symmetry, sometimes forming incommensurate order, and other times forming a spin liquid. The present research focuses on finding complex magnets that are in close proximity to a sea of metallic, itinerant electrons.

36 MATERIALS SCIENCE↗

Engineering magnetic topological insulators in Eu 5 M 2 X 6 Zintl compounds

Magnetic topological insulators provide a prominent material platform for quantum anomalous Hall physics and axion electrodynamics. However, the lack of material realizations with cleanly gapped surfaces hinders technological utilization of these exotic quantum phenomena. Here, using the Zintl concept and the properties of nonsymmorphic space groups, we computationally engineer magnetic topological insulators. Specifically, we explore Eu 5 M 2 X 6 (M=metal, X=pnictide) Zintl compounds and find that Eu 5 Ga 2 Sb 6 , Eu 5 Tl 2 Sb 6 , and Eu 5 In 2 Bi 6 form stable structures with nontrivial Z 2 indices. We also show that epitaxial and uniaxial strain can be used to control the Z 2 index and the bulk energy gap. Lastly, we discuss experimental progress towards the synthesis of the proposed candidates and provide insights that can be used in the search for robust magnetic topological insulators in Zintl compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nonresonant Raman Control of Ferroelectric Polarization

Important advances is recently made in the search for materials with complex multi-phase landscapes that host photoinduced metastable collective states with exotic functionalities. In almost all cases so far, the desired phases are accessed by exploiting light–matter interactions via the imaginary part of the dielectric function through above-bandgap or resonant mode excitation. Nonresonant Raman excitation of coherent modes is experimentally observed and proposed for dynamic material control, but the resulting atomic excursion is limited to perturbative levels. Here, in this study, this challenge is overcome by employing nonresonant ultrashort pulses with low photon energies well below the bandgap. Using mid-infrared pulses, ferroelectric reversal is induced in lithium niobate, and the large-amplitude mode displacements are characterized through femtosecond stimulated Raman scattering and second harmonic generation. This approach, validated by first-principle calculations, defines a novel method for synthesizing hidden phases with unique functional properties and manipulating complex energy landscapes at reduced energy consumption and ultrafast speeds.

Shi, Jiaojian [Stanford Univ., CA (United States);↗

A microscopic Kondo lattice model for the heavy fermion antiferromagnet CeIn 3

Electrons at the border of localization generate exotic states of matter across all classes of strongly correlated electron materials and many other quantum materials with emergent functionality. Heavy electron metals are a model example, in which magnetic interactions arise from the opposing limits of localized and itinerant electrons. This remarkable duality is intimately related to the emergence of a plethora of novel quantum matter states such as unconventional superconductivity, electronic-nematic states, hidden order and most recently topological states of matter such as topological Kondo insulators and Kondo semimetals and putative chiral superconductors. The outstanding challenge is that the archetypal Kondo lattice model that captures the underlying electronic dichotomy is notoriously difficult to solve for real materials. Here we show, using the prototypical strongly-correlated antiferromagnet CeIn 3 , that a multi-orbital periodic Anderson model embedded with input from ab initio bandstructure calculations can be reduced to a simple Kondo-Heisenberg model, which captures the magnetic interactions quantitatively. We validate this tractable Hamiltonian via high-resolution neutron spectroscopy that reproduces accurately the magnetic soft modes in CeIn 3 , which are believed to mediate unconventional superconductivity. Our study paves the way for a quantitative understanding of metallic quantum states such as unconventional superconductivity.

36 MATERIALS SCIENCE↗

Spin-phonon dispersion in magnetic materials

Microscopic coupling between the electron spin and the lattice vibration is responsible for an array of exotic properties from morphic effects in simple non magnets to magnetodielectric coupling in multiferroic spinels and hematites. Traditionally, a single spin–phonon coupling constant is used to characterize how effectively the lattice can affect the spin, but it is hardly enough to capture novel electromagnetic behaviors to the full extent. Here, we introduce a concept of spin–phonon dispersion to project the spin moment change along the phonon crystal momentum direction, so the entire spin change can be mapped out. Different from the phonon dispersion, the spin–phonon dispersion has both positive and negative frequency branches even in the equilibrium ground state, which correspond to the spin enhancement and spin reduction, respectively. Our study of bcc Fe and hcp Co reveals that the spin force matrix, that is, the second-order spatial derivative of spin moment, is similar to the vibrational force matrix, but its diagonal elements are smaller than the off-diagonal ones. This leads to the distinctive spin–phonon dispersion. Furthermore, the concept of spin–phonon dispersion expands the traditional Elliott-Yafet theory in nonmagnetic materials to the entire Brillouin zone in magnetic materials, thus opening the door to excited states in systems such as CoF 2 and NiO, where a strong spin-lattice coupling is detected in the THz regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Probing the edge states of Chern insulators using microwave impedance microscopy

Microwave impedance microscopy (MIM) has been utilized to directly visualize topological edge states in many quantum materials. While the microwave response for conventional metals and insulators can be accurately quantified using simple lumped-element circuits, whose applicability to more exotic quantum systems remain limited. In this work, we present a general theoretical framework of the MIM response of arbitrary quantum materials. Applying it to topological edge states in a Chern insulator predicts an enhanced MIM response at the crystal boundaries due to collective edge magnetoplasmon (EMP) excitations. The unique resonance frequency of these plasmonic modes allows one to disentangle the signatures of topological versus trivial edge states. To benchmark our analytical predictions, we experimentally probe the MIM response of quantum anomalous Hall edge states in a Cr-doped (Bi,Sb) 2 Te 3 topological insulator and perform numerical simulations using a classical formulation of the EMP modes based on this realistic tip-sample geometry, both of which yield results consistent with our theoretical picture. Here we also show how the technique of MIM can be used to quantitatively extract the topological invariant of a Chern insulator and shed light on the microscopic nature of dissipation along the crystal boundaries.

36 MATERIALS SCIENCE↗