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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Ni and CoO spin cantings induced by Fe layer in Ni/CoO/Fe/vicinal MgO(001)

Using element-resolved x-ray magnetic circular dichroism and x-ray magnetic linear dichroism measurements, we studied Ni/CoO/vicinal MgO(001) and Ni/CoO/Fe/vicinal MgO(001) systems at 350 and 78 K. Above the CoO Néel temperature, the Ni magnetization is fully in plane and parallel to the atomic steps in both systems due to step-induced magnetic anisotropy. Below the CoO Néel temperature, the CoO spins in Ni/CoO/vicinal MgO(001) are fully in plane and parallel to the atomic steps and the Ni magnetization is fully in plane and perpendicular to the atomic steps due to the 90° Ni/CoO magnetic coupling. The CoO spins in Ni/CoO/Fe/vicinal MgO(001), however, develop an out-of-plane canted spin component in addition to the in-plane component parallel to the atomic steps. Consequently, the Ni magnetization is canted towards the out-of-plane direction by an appreciable angle. Finally, photoemission electron microscopy imaging shows a 90° interfacial magnetic coupling at both the Ni/CoO and the CoO/Fe interfaces and an absence of a direct interlayer coupling, showing that the Ni spin canting is due to its coupling to the canted CoO spin components which is caused by the underlying ferromagnetic Fe layer in Ni/CoO/Fe/vicinal MgO(001).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Unconventional Pressure-Driven Metamagnetic Transitions in Topological van der Waals Magnets

Activating metamagnetic transitions between ordered states in van der Waals magnets and devices bring great opportunities in spintronics. Here we show that external pressure, which enhances the inter-layer hopping without introducing chemical disorders, triggers multiple metamagnetic transitions upon cooling in the topological van der Waals magnets Mn(Bi 1–x Sb x ) 4 Te 7 , where the antiferro magnetic interlayer superexchange coupling competes with the ferromagnetic interlayer coupling mediated by the antisite Mn spins. The temperature-pressure phase diagrams reveal that while the ordering temperature from the paramagnetic to ordered states is almost pressure-independent, the metamagnetic transitions show non-trivial pressure and temperature dependence, even re-entrance. For these highly anisotropic magnets, we attribute the former to the ordering temperature being only weakly dependent on the intralayer parameters, the latter to the parametrically different pressure and temperature dependence of the two interlayer couplings. Our independent probing of these disparate magnetic interactions paves an avenue for efficient magnetic manipulations in van der Waals magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Tunable two-dimensional interfacial coupling in molecular heterostructures

Two-dimensional van der Waals heterostructures are of considerable interest for the next generation nanoelectronics because of their unique interlayer coupling and optoelectronic properties. Here, we report a modified Langmuir–Blodgett method to organize twodimensional molecular charge transfer crystals into arbitrarily and vertically stacked heterostructures, consisting of bis(ethylenedithio)tetrathiafulvalene (BEDT–TTF)/C 60 and poly (3-dodecylthiophene-2,5-diyl) (P3DDT)/C 60 nanosheets. A strong and anisotropic interfacial coupling between the charge transfer pairs is demonstrated. The van der Waals heterostructures exhibit pressure dependent sensitivity with a high piezoresistance coefficient of -4.4 × 10 -6 Pa -1 , and conductance and capacitance tunable by external stimuli (ferroelectric field and magnetic field). Density functional theory calculations confirm charge transfer between the n-orbitals of the S atoms in BEDT–TTF of the BEDT–TTF/C 60 layer and the π* orbitals of C atoms in C 60 of the P3DDT/C 60 layer contribute to the inter-complex CT. Thus, the two-dimensional molecular van der Waals heterostructures with tunable optical–electronic–magnetic coupling properties are promising for flexible electronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tuning magneto-optical zero reflection via dual-channel hybrid magnonics

Multichannel coupling in hybrid systems makes an attractive testbed not only because of the distinct advantages entailed by each constituent mode but also because the opportunity to leverage interference among the various excitation pathways. Here, via combined analytical calculation and experiment, we demonstrate that the phase of the magnetization precession at the interface of a coupled yttrium iron garnet (YIG)/permalloy (Py) bilayer is collectively controlled by the microwave photon field torque and the interlayer exchange torque, manifesting a coherent, dual-channel excitation scheme that effectively tunes the magneto-optical spectrum. Furthermore, the different torque contributions vary with frequency, external bias field, and type of interlayer coupling between YIG and Py, which further results in destructive or constructive interferences between the two excitation channels, and hence selective suppression or amplification of the hybridized magnon modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Extraordinary anisotropic magnetoresistance in CaMnO 3 /CaIrO 3 heterostructures

The realization of four-fold anisotropic magnetoresistance (AMR) in novel 3d-5d heterostructures has boosted major efforts in antiferromagnetic spintronics. However, despite the potential of incorporating strong spin-orbit coupling, only small AMR signals have been detected thus far, prompting a search for new mechanisms to enhance the signal. In this study on CaMnO 3 /CaIrO 3 heterostructures, we report a unique dual-four-fold symmetric 70% AMR; a signal two orders of magnitude larger than previously observed in similar systems. We find that one order is enhanced by tuning a large biaxial anisotropy through octahedral tilts of similar sense in the constituent layers, while the second order is triggered by a spin-flop transition in a nearly Mott-type phase. Dynamics between these two phenomena as evidenced by the step-like AMR and a superimposed biaxial-anisotropy-induced AMR capture a subtle interplay of pseudospin coupling with the lattice and external magnetic field. Furthermore, our study shows that a combination of charge-transfer, interlayer coupling, and a spin-flop transition can yield a giant AMR relevant for sensing and antiferromagnetic memory applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Emergence of flat-band magnetism and half-metallicity in twisted bilayer graphene

Evidence of flat-band magnetism and half-metallicity in compressed twisted bilayer graphene is provided with first-principles calculations. In this article, we show that dynamic band-structure engineering in twisted bilayer graphene is possible by controlling the chemical composition with extrinsic doping, the interlayer coupling strength with pressure, and the magnetic ordering with external electric field. By varying the rotational order and reducing the interlayer separation, an unbalanced distribution of charge density results in the spontaneous apparition of localized magnetic moments without disrupting the structural integrity of the bilayer. Weak exchange correlation between magnetic moments is estimated in large unit cells. External electric field switches the local magnetic ordering from ferromagnetic to antiferromagnetic. Substitutional doping shifts the chemical potential of one spin distribution and leads to half-metallicity. Lastly, flakes of compressed twisted bilayer graphene exhibit spontaneous magnetization, demonstrating that correlation between magnetic moments is not a necessary condition for their formation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Spin-Valley Locking in 2 H -TaS 2 and Its Co-Intercalated Counterpart: Roles of Surface Domains and Co Intercalation

Tuning and probing spin-valley coupling is key to understanding correlated ground states in 2H-TaS 2 . Its magnetically intercalated analogue, Co 1/3 TaS 2 , introduces additional degrees of freedom, including modified interlayer coupling and magnetism, to modulate spin-valley physics. Surface-sensitive probes like ARPES are essential for accessing surface spin texture, yet previous studies on 2H-TMDs have reported conflicting results regarding spin-polarized bands, leaving open whether these discrepancies are intrinsic or extrinsic. Here, in this study, we performed spatially resolved spin-ARPES measurements on 2H-TaS 2 and Co 1/3 TaS 2 . Our results reveal robust spin-valley locking on both compounds. Importantly, Co intercalation enhances interlayer hybridization and introduces magnetism while preserving the TaS 2 -derived spin texture. We further observe a spatial reversal of the out-of-plane spin polarization, which we attribute to different surface domains. This effect complicates quantifying spin textures and may underlie prior inconsistent observations. Our findings provide microscopic insight into how interlayer interactions and surface domains together govern spin-valley phenomena in layered TMDs.

Spin-resolved angle-resolved photoemission spectro↗
DOE OSTI2025

Bichromatic moiré superlattices for tunable quadrupolar trions and correlated states

Moiré superlattices in transition metal dichalcogenide heterostructures provide a platform to engineer many-body interactions. Here, we realize a bichromatic moiré superlattice in an asymmetric WSe2/WS2/WSe2 heterotrilayer by combining R- and H-stacked bilayers with mismatched moiré wavelengths. This structure hosts fermionic quadrupolar moiré trions—interlayer excitons bound to an opposite-layer hole—with vanishing dipole moments. These trions arise from hybridized moiré potentials enabling multiple excitonic orbitals with tunable interlayer coupling, allowing control of excitonic and electronic ground states. We show that an out-of-plane electric field could effectively reshape moiré excitons and interlayer-intralayer electron correlations, driving a transition from interlayer to intralayer Mott states with enhanced Coulomb repulsion. The asymmetric stacking further enriches excitonic selection rules, broadening opportunities for spin-photon engineering. Our results demonstrate bichromatic moiré superlattices as a reconfigurable platform for emergent quantum states, where quadrupolar moiré trion emission may enable coherent and entangled quantum light manipulation.

Chen, Mingfeng [Washington University in St. Louis↗
DOE OSTI2019

Tuning superconductivity in twisted bilayer graphene

Materials with flat electronic bands often exhibit exotic quantum phenomena owing to strong correlations. An isolated low-energy flat band can be induced in bilayer graphene by simply rotating the layers by 1.1°, resulting in the appearance of gate-tunable superconducting and correlated insulating phases. In this study, we demonstrate that in addition to the twist angle, the interlayer coupling can be varied to precisely tune these phases. We induce superconductivity at a twist angle larger than 1.1°—in which correlated phases are otherwise absent—by varying the interlayer spacing with hydrostatic pressure. Our low-disorder devices reveal details about the superconducting phase diagram and its relationship to the nearby insulator. Our results demonstrate twisted bilayer graphene to be a distinctively tunable platform for exploring correlated states.

charge transport↗
DOE OSTI2017

Experimental Determination of the Ionization Energies of MoSe 2 , WS 2 , and MoS 2 on SiO 2 Using Photoemission Electron Microscopy

Here, the values of the ionization energies of transition metal dichalcogenides (TMDs) are needed to assess their potential usefulness in semiconductor heterojunctions for high-performance optoelectronics. Here, we report on the systematic determination of ionization energies for three prototypical TMD monolayers (MoSe 2 , WS 2 , and MoS 2 ) on SiO 2 using photoemission electron microscopy with deep ultraviolet illumination. The ionization energy displays a progressive decrease from MoS 2 , to WS 2 , to MoSe 2 , in agreement with predictions of density functional theory calculations. Combined with the measured energy positions of the valence band edge at the Brillouin zone center, we deduce that, in the absence of interlayer coupling, a vertical heterojunction comprising any of the three TMD monolayers would form a staggered (type-II) band alignment. This band alignment could give rise to long-lived interlayer excitons that are potentially useful for valleytronics or efficient electron–hole separation in photovoltaics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Pressure dependent magnetic properties on bulk CrBr 3 single crystals

The van der Waals class of materials offer an approach to two-dimensional magnetism as their spin fluctuations can be tuned upon exfoliation of layers. Moreover, it has recently been shown that spin-lattice coupling and long-range magnetic ordering can be modified with pressure in van der Waals materials. In this work, the magnetic properties of quasi two-dimensional CrBr 3 are reported applying hydrostatic pressure. The application of pressure up to 0.844 GPa shows a 1.77% decrease in saturation magnetization with a decrease in the Curie temperature from 33.05 to 30.41 K. Density functional theory calculations with pressure up to 1 GPa show a reduction in volume and interplanar distance as pressure increases. To further understand the magnetic properties with applied pressure, the magnetocrystalline anisotropy energy (MAE) and exchange coupling parameter (J) are calculated. There is small decrease in MAE and the first nearest neighbor interaction (J 1 ) (U = 2.7 eV and J = 0.7 eV) is increasing with respect to increasing pressure. Overall, CrBr 3 displays ferromagnetic interlayer coupling and the calculated exchange coupling and MAE parameters match well with the observations from the experimental work.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Visualizing heavy fermion confinement and Pauli-limited superconductivity in layered CeCoIn 5

Layered material structures play a key role in enhancing electron–electron interactions to create correlated metallic phases that can transform into unconventional superconducting states. The quasi-two-dimensional electronic properties of such compounds are often inferred indirectly through examination of bulk properties. Here we use scanning tunneling microscopy to directly probe in cross-section the quasi-two-dimensional electronic states of the heavy fermion superconductor CeCoIn 5 . Our measurements reveal the strong confined nature of quasiparticles, anisotropy of tunneling characteristics, and layer-by-layer modulated behavior of the precursor pseudogap gap phase. In the interlayer coupled superconducting state, the orientation of line defects relative to the d-wave order parameter determines whether in-gap states form due to scattering. Spectroscopic imaging of the anisotropic magnetic vortex cores directly characterizes the short interlayer superconducting coherence length and shows an electronic phase separation near the upper critical in-plane magnetic field, consistent with a Pauli-limited first-order phase transition into a pseudogap phase.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Electronic reconstruction in confined SrRuO 3 monolayers

Here, we report the observation of an electronic reconstruction in dimensionally controlled ruthenate heterostructures synthesized by pulsed laser deposition. High structural and electronic quality of superlattices comprised of a single SrRuO 3 layer inter-spaced with varying thicknesses of insulating SrTiO 3 layers was verified by reflection high energy electron diffraction, atomic force microscopy, x-ray diffraction, reciprocal space mapping, and x-ray absorption spectroscopy. X-ray absorption spectroscopy evidences a confinement-driven evolution of the Ru electronic configuration from the 𝑑 5 $\underline{L}$ to the 𝑑 4 state. Significant increases of the spin-orbit coupling are observed in connection with the configuration changes supporting recent works identifying large enhancement of the magnetic anisotropy. The growth of high quality two-dimensional confined ruthenate layers under precisely controlled environments highlights the potential to directly manipulate interlayer coupling and selectively perturb the electronic state in ruthenates in analogy to superconducting Sr 2 ⁢RuO 4 .

36 MATERIALS SCIENCE↗
DOE OSTI2025

Emergent Above-Gap Photoluminescence in Molecularly Engineered Hybrid Bilayer Crystals

Bilayer crystals, built by stacking two-dimensional (2D) covalent monolayers, give rise to coupled excitonic states whose properties are constrained by fixed lattice symmetry and orientation. Replacing one covalent monolayer with a 2D molecular crystal––held together by non-covalent forces––overcomes this limitation, as molecular functional groups afford tunable in-plane lattice geometry, intermolecular spacing, and interlayer coupling, providing a powerful knob for exciton engineering. Here, in this study, we report four-atom-thick hybrid bilayer crystals (HBCs) synthesized by directly growing single-crystalline PDI molecular crystal atop WS 2 monolayers, which exhibit a robust photoluminescence (PL) peak 120 meV above the WS 2 optical band gap alongside a belowgap emission. Both peaks display strong polarization anisotropy—nearing unity for the above-gap emission—and maintain a perfectly linear power-law dependence up to an excitation density of ~10 7 mW/cm 2 , indicative of coexisting localized and delocalized excitonic states. Substituting PDI with a PTCDA monolayer on WS 2 fully quenches PL, demonstrating molecular control over excitonic emission. Lattice scale ab initio GW and GW-BSE calculations reveal a significantly hybridized bilayer band structure in PDI/WS 2 that supports interlayer excitonic species both above and below the WS 2 gap with strong polarization anisotropy, in excellent agreement with experiment. Our work introduces a molecule-based bilayer platform for the bottom-up design and control of excitonic phenomena in atomically thin optoelectronic and quantum materials.

2D materials↗
DOE OSTI2018

Interlayer-Decoupled Sc-Based Mxene with High Carrier Mobility and Strong Light-Harvesting Ability

Two-dimensional (2D) van der Waals (vdW) layered materials offer a unique combination of electronic and structural properties attractive for technological applications. Most of them show strong vdW interactions, which lead to interlayer-coupled optoelectronic properties due to quantum confinement. Here we present a systematic computational study of one Mxene, 2D double-metal-layered scandium chloride carbides (Sc 2 CCl 2 ). Unlike conventional quantum-confined nanosystems, 2D Sc 2 CCl 2 exhibits weak vdW interactions with robust interlayer-decoupled optoelectronic properties and extremely high and anisotropic carrier mobilities of about 1–4.5 × 10 4 cm 2 V –1 s –1 that consequently produce comparatively large drain currents. Specifically, the 2D Sc 2 CCl 2 family has strong light-harvesting ability and could be utilized as efficient donor materials in excitonic solar cells. Overall, in combination with high structural stability against ambient conditions, interlayer-decoupled robust optoelectronic properties potentially relax the requirements for the fabrication of high-quality monolayers and for selection of suitable substrates and suggest promising next-generation optoelectronic applications.

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

Multilayer Network Clarifies Prevailing Water Consumption Telecouplings in the United States

Virtual water flows are used to map the indirect water consumption connections implied by the supply chain of a city, region, or country. This information can be used to manage supply chains to achieve environmental policy objectives and mitigate environmental risks to critical supply chains. A limitation of prior work is that these flows are typically analyzed using monolayer networks, which ignores crucial intersectoral or interlayer couplings. Here, in this study, we use a multilayer network to account for such couplings when analyzing blue virtual water flows in the United States. Our multilayer network consists of 115 different regions (nodes), covering the entire conterminous United States; 41 coupled economic sectors (layers); and ∼2 × 10 7 possible links. To analyze the multilayer network, we focus on three fundamental network properties: topological connectivity, mesoscale structure, and node centrality. The network has a high connectivity, with each node being on average connected to roughly 2/3 of the network's nodes. Interlayer flows are a major driver of connectivity, representing ∼54% of all the network's connections. Five different groups of tightly connected nodes (communities) characterize the network. Each community represents a preferred spatial mode of long-range virtual water interaction within the United States. We find that large (populous) cities have a stronger influence than small ones on network functioning because they attract and recirculate more virtual water through their supply chains. Our results also highlight differences between the multilayer and monolayer virtual water network, which overall show that the former provides a more realistic representation of virtual water flows.

Garcia Gonzalez, Susana↗
DOE OSTI2015

Magnetic coupling in ferromagnetic semiconductor (Ga,Mn)As/(Al,Ga,Mn)As bilayers

We report on a study of ferromagnetic semiconductor (Ga,Mn)As/(Al,Ga,Mn)As bilayers using magnetometry and polarized neutron reflectivity (PNR). From depth-resolved characterization of the magnetic structure obtained by PNR, we concluded that the (Ga,Mn)As and (Al,Ga,Mn)As layers have in-plane and perpendicular-to-plane magnetic easy axes, respectively, with weak interlayer coupling. Therefore, the layer magnetizations align perpendicular to each other under low magnetic fields and parallel at high fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Modification of the electronic properties of hexagonal boron-nitride in BN/graphene vertical heterostructures

Van der Waals (vdW) heterostructures consist of isolated atomic planar structures, assembled layer- by-layer into desired structures in a well-defined sequence. Graphene deposited on hexagonal boron nitride (h-BN) has been first considered as a testbed system for vdW heterostructures, and many others have been demonstrated both theoretically and experimentally, revealing many attractive properties and phenomena. However, much less emphasis has been placed on how graphene actively affects h-BN properties. Here, we perform local probe measurements on single-layer h-BN grown over graphene and highlight the manifestation of a proximity effect that significantly affects the electronic properties of h-BN due to its coupling with the underlying graphene. We find electronic states originating from the graphene layer and the Cu substrate to be injected into the wide electronic gap of the h-BN top layer. Such proximity effect is further confirmed in a study of the variation of h-BN in-gap states with interlayer couplings, elucidated using a combination of topographical/ spectroscopic measurements and first-principles density functional theory calculations. In conclusion, the findings of this work indicate the potential of mutually engineering electronic properties of the components of vdW heterostructures.

36 MATERIALS SCIENCE↗