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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Independence of the spin current from the Néel vector orientation in antiferromagnet CoO

Spin pumping from ferromagnetic Fe into antiferromagnetic CoO across a Ag spacer layer was studied using ferromagnetic resonance (FMR) in Py/CoO/Ag/Fe/Ag(001). The thin Py film on top of CoO permits an alignment of the CoO Neél vector through field cooling in two otherwise equivalent [110] and [110] crystalline axes which are parallel and perpendicular to the Fe magnetization direction, respectively. Fe FMR linewidth is measured as a function of Ag thickness in 10-20-GHz frequency range and in 180-330 K temperature range. Furthermore, we find that there exists an anisotropy in the Fe FMR damping for parallel and perpendicular alignment of the Fe and CoO spins. However, such anisotropic damping exists only at thin Ag thickness where there exists a magnetic interlayer coupling between Fe and CoO, and vanishes at thick Ag thickness where the interlayer coupling becomes negligible but permitting spin-current transmission into CoO. Our result indicates the absence of anisotropic spin current for parallel and perpendicular alignment of the Fe and CoO spin axes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Numerical Analysis of Fatigue Behavior of ITER-Like Monoblock Divertor Interlayer Under Coupled Heat Loads

High-confinement mode is a very prominent operation style for future fusion device due to its unique advantages. However, the conjuncted edge localized modes (ELMs) are very difficult to control so that divertor plates are very prone to suffer both stationary high heat flux (HHF) loads of long-pulse operating mode and transient shock loads of ELMs. Most previous researches focus on degradation of plasma facing material (PFM), however, as a layer joining PFM and cooling tube, the soft copper interlayer suffers concentrated thermal stress loads due to mismatched thermal expansion of PFM and cooling tube. Its thermal fatigue behavior under such coupled loads is also of great significance to structural safety of divertor component. With such a motivation, the reduction effects on fatigue life time of a typical interlayer of monoblock divertor under series of coupled HHF and ELMs shock loading conditions are investigated. It is found that: (1) The transient shock feature of ELMs loading is propagated into interlayer with less sharp pattern. The increase of damage induced by coupled ELMs loading is limited in single cycle, while the accumulated damage of multiple consecutive coupled loading cycles is increased nonlinearly. (2) Under the coupled HHF and ELMs loading, the fatigue life time of interlayer is generally decreasing. The magnitude of decrease is increasing nonlinearly with the magnitude of ELMs peak and averaged heat flux. (3) For three characteristic parameters of ELMs shock loading such as frequency, duration and peak heat flux, the peak heat flux and frequency are two parameters more sensitive to determine coupled reduction effects on fatigue lifetime of the interlayer, while for high frequency case, time averaged heat flux takes the lead.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Effects of pressure on the electronic and magnetic properties of bulk NiI 2

Transition metal dihalides have recently garnered interest in the context of two-dimensional van der Waals magnets as their underlying geometrically frustrated triangular lattice leads to interesting competing exchange interactions. In particular, NiI 2 is a magnetic semiconductor that has been long known for its exotic helimagnetism in the bulk. Recent experiments have shown that the helimagnetic state survives down to the monolayer limit with a layer-dependent magnetic transition temperature that suggests a relevant role of the interlayer coupling. Here, we explore the effects of hydrostatic pressure as a means to enhance this interlayer exchange and ultimately tune the electronic and magnetic response of NiI 2 . We study first the evolution of the structural parameters as a function of external pressure using first-principles calculations combined with x-ray diffraction measurements. We then examine the evolution of the electronic structure and magnetic exchange interactions via first-principles calculations and Monte Carlo simulations. Further, we find that the leading interlayer coupling is an antiferromagnetic second-nearest-neighbor interaction that increases monotonically with pressure. The ratio between isotropic third- and first-nearest-neighbor intralayer exchanges, which controls the magnetic frustration and determines the magnetic propagation vector q of the helimagnetic ground state, is also enhanced by pressure. As a consequence, our Monte Carlo simulations show a monotonic increase in the magnetic transition temperature, indicating that pressure is an effective means to tune the magnetic response of NiI 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Switching 2D magnetic states via pressure tuning of layer stacking

The physical properties of two-dimensional van der Waals crystals can be sensitive to interlayer coupling. For two-dimensional magnets, theory suggests that interlayer exchange coupling is strongly dependent on layer separation while the stacking arrangement can even change the sign of the interlayer magnetic exchange, thus drastically modifying the ground state. Here, we demonstrate pressure tuning of magnetic order in the two-dimensional magnet CrI 3 . We probe the magnetic states using tunnelling and scanning magnetic circular dichroism microscopy measurements. We find that interlayer magnetic coupling can be more than doubled by hydrostatic pressure. In bilayer CrI 3 , pressure induces a transition from layered antiferromagnetic to ferromagnetic phase. In trilayer CrI 3 , pressure can create coexisting domains of three phases, one ferromagnetic and two antiferromagnetic. The observed changes in magnetic order can be explained by changes in the stacking arrangement. Such coupling between stacking order and magnetism provides ample opportunities for designer magnetic phases and functionalities.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Pressure-controlled magnetism in 2D molecular layers

Abstract Long-range magnetic ordering of two-dimensional crystals can be sensitive to interlayer coupling, enabling the effective control of interlayer magnetism towards voltage switching, spin filtering and transistor applications. With the discovery of two-dimensional atomically thin magnets, a good platform provides us to manipulate interlayer magnetism for the control of magnetic orders. However, a less-known family of two-dimensional magnets possesses a bottom-up assembled molecular lattice and metal-to-ligand intermolecular contacts, which lead to a combination of large magnetic anisotropy and spin-delocalization. Here, we report the pressure-controlled interlayer magnetic coupling of molecular layered compounds via chromium-pyrazine coordination. Room-temperature long-range magnetic ordering exhibits pressure tuning with a coercivity coefficient up to 4 kOe/GPa, while pressure-controlled interlayer magnetism also presents a strong dependence on alkali metal stoichiometry and composition. Two-dimensional molecular interlayers provide a pathway towards pressure-controlled peculiar magnetism through charge redistribution and structural transformation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Interlayer Exciton Polarons in Mesoscopic V 2 O 5 for Broadband Optoelectronic Synapses

Persistent photoconductivity and optoelectronic synaptic behavior are demonstrated in solution-processed mesoscopic α-phase vanadium pentoxide (V 2 O 5 ) thin films. First-principles simulations coupled with the two-site Holstein polaron hopping model show that vacancies at the terminal oxygen position lead to long recombination times because photoexcited electrons and holes reside on different layers separated by the van der Waals gap, forming a weakly coupled interlayer exciton polaron. Mid-gap polaronic states also significantly broaden the photoresponse of the films to span across visible and infrared wavelengths. By controlling the amplitude/intensity, duration, and/or number of optical pulses, tunable optoelectronic memory functions, such as short-term and long-term plasticity, are experimentally established in V 2 O 5 -based optoelectronic synapses. Furthermore, device fabrication was extended to mechanically flexible ultrathin glass substrates. Flexible optoelectronic synapses maintained high performance after 150 bending cycles.

Phan, Thanh Luan [National Renewable Energy Labora↗
DOE OSTI2016

Interplanar coupling-dependent magnetoresistivity in high-purity layered metals

The magnetic field-induced changes in the conductivity of metals are the subject of intense interest, both for revealing new phenomena and as a valuable tool for determining their Fermi surface. Here we report a hitherto unobserved magnetoresistive effect in ultra-clean layered metals, namely a negative longitudinal magnetoresistance that is capable of overcoming their very pronounced orbital one. This effect is correlated with the interlayer coupling disappearing for fields applied along the so-called Yamaji angles where the interlayer coupling vanishes. Therefore, it is intrinsically associated with the Fermi points in the field-induced quasi-one-dimensional electronic dispersion, implying that it results from the axial anomaly among these Fermi points. In its original formulation, the anomaly is predicted to violate separate number conservation laws for left- and right-handed chiral (for example, Weyl) fermions. Furthermore, its observation in PdCoO 2 , PtCoO 2 and Sr 2 RuO 4 suggests that the anomaly affects the transport of clean conductors, in particular near the quantum limit.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Dynamic Magnetic Hysteresis Behaviors in a Mixed Spin (3/2, 2) Bilayer System with Different Crystal-Field Interactions

Dynamic magnetic hysteresis (DMH) behaviors of the mixed spin-3/2 and spin-2 Ising bilayer system with different crystal-field interactions on a two-layer square lattice is studied by the use of dynamic mean field calculations based on the Glauber-type stochastic. The hysteresis loops are obtained for different reduced temperatures (T), magnetic field amplitudes (h), frequencies (w) and interlayer coupling constants (J{sub 3}). Influences of the T, h, w and J{sub 3} on the DMH properties are investigated. We also study the temperature, frequency and interlayer coupling interaction dependence of the coercive field and remanent magnetization. We compare our results with some theoretical and experimental works and observe a quantitatively good agreement with some theoretical and experimental results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Superconductivity in pressurized trilayer La 4 Ni 3 O 10-$δ$ single crystals

In this study, the pursuit of discovering new high-temperature superconductors that diverge from the copper-based model has profound implications for explaining mechanisms behind superconductivity and may also enable new applications. Here our investigation shows that the application of pressure effectively suppresses the spin–charge order in trilayer nickelate La 4 Ni 3 O 10-δ single crystals, leading to the emergence of superconductivity with a maximum critical temperature (T c ) of around 30 K at 69.0 GPa. The d.c. susceptibility measurements confirm a substantial diamagnetic response below T c , indicating the presence of bulk superconductivity with a volume fraction exceeding 80%. In the normal state, we observe a strange metal behaviour, characterized by a linear temperature-dependent resistance extending up to 300 K. Furthermore, the layer-dependent superconductivity observed hints at a unique interlayer coupling mechanism specific to nickelates, setting them apart from cuprates in this regard. Our findings provide crucial insights into the fundamental mechanisms underpinning superconductivity, while also introducing a new material platform to explore the intricate interplay between the spin–charge order, flat band structures, interlayer coupling, strange metal behaviour and high-temperature superconductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Evidence of a purely electronic two-dimensional lattice at the interface of TMD/Bi 2 Se 3 heterostructures

When 2D materials are vertically stacked, new physics emerges from interlayer orbital interactions and charge transfer modulated by the additional periodicity of interlayer atomic registry (moiré superlattice). Surprisingly, relatively little is known regarding the real-space distribution of the transferred charges within this framework. In this paper we provide the first experimental indications of a real-space, non-atomic lattice formed by interlayer coupling induced charge redistribution in vertically stacked Bi 2 Se 3 /transition metal dichalcogenide (TMD) 2D heterostructures. Robust enough to scatter 200 keV electron beams, this non-atomic lattice generates selected area diffraction patterns that correspond excellently with simulated patterns from moiré superlattices of the parent crystals suggesting their location at sites of high interlayer atomic registry. Density functional theory (DFT) predicts concentrated charge pools reside in the interlayer region, located at sites of high nearest-neighbor atomic registry, suggesting the non-atomic lattices are standalone, reside in the interlayer region, and are purely electronic.

2D materials↗
DOE OSTI2023

Oscillating paramagnetic Meissner effect and Berezinskii-Kosterlitz-Thouless transition in underdoped Bi2Sr2CaCu2O8+δ

ABSTRACT Superconducting phase transitions in two dimensions lie beyond the description of the Ginzburg-Landau symmetry-breaking paradigm for three-dimensional superconductors. They are Berezinskii-Kosterlitz-Thouless (BKT) transitions of paired-electron condensate driven by the unbinding of topological excitations, i.e. vortices. The recently discovered monolayers of layered high-transition-temperature (${{{T}}}_{{\rm C}}$) cuprate superconductor Bi2Sr2CaCu2O8+δ (Bi2212) meant that this 2D superconductor promised to be ideal for the study of unconventional superconductivity. But inhomogeneity posed challenges for distinguishing BKT physics from charge correlations in this material. Here, we utilize the phase sensitivity of scanning superconducting quantum interference device microscopy susceptometry to image the local magnetic response of underdoped Bi2212 from the monolayer to the bulk throughout its phase transition. The monolayer segregates into domains with independent phases at elevated temperatures below ${{{T}}}_{{\rm C}}$. Within a single domain, we find that the susceptibility oscillates with flux between diamagnetism and paramagnetism in a Fraunhofer-like pattern up to ${{{T}}}_{{\rm C}}$. The finite modulation period, as well as the broadening of the peaks when approaching ${{{T}}}_{{\rm C}}$ from below, suggests well-defined vortices that are increasingly screened by the dissociation of vortex-antivortex plasma through a BKT transition. In the multilayers, the susceptibility oscillation differs in a small temperature regime below ${{{T}}}_{{\rm C}}$, consistent with a dimensional crossover led by interlayer coupling. Serving as strong evidence for BKT transition in the bulk, we observe a sharp jump in phase stiffness and paramagnetism at small fields just below ${{{T}}}_{{\rm C}}$. These results unify the superconducting phase transitions from the monolayer to the bulk underdoped Bi2212, and can be collectively referred to as the BKT transition with interlayer coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Topology Hierarchy of Transition Metal Dichalcogenides Built from Quantum Spin Hall Layers

The evolution of the physical properties of 2D material from monolayer limit to the bulk reveals unique consequences from dimension confinement and provides a distinct tuning knob for applications. Monolayer 1T'-phase transition metal dichalcogenides (1T'-TMDs) with ubiquitous quantum spin Hall (QSH) states are ideal 2D building blocks of various 3D topological phases. However, the stacking geometry has been previously limited to the bulk 1T'-WTe 2 type. Here, the novel 2M-TMDs consisting of translationally stacked 1T'-monolayers are introduced as promising material platforms with tunable inverted bandgaps and interlayer coupling. By performing advanced polarization-dependent angle-resolved photoemission spectroscopy as well as first-principles calculations on the electronic structure of 2M-TMDs, a topology hierarchy is revealed: 2M-WSe 2 , MoS 2 , and MoSe 2 are weak topological insulators (WTIs), whereas 2M-WS 2 is a strong topological insulator (STI). Further demonstration of topological phase transitions by tunning interlayer distance indicates that band inversion amplitude and interlayer coupling jointly determine different topological states in 2M-TMDs. Finally, it is proposed that 2M-TMDs are parent compounds of various exotic phases including topological superconductors and promise great application potentials in quantum electronics due to their flexibility in patterning with 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Isotropic and anisotropic regimes of the field-dependent spin dynamics in Sr 2 IrO 4 : Raman scattering studies

A major focus of experimental interest in Sr 2 IrO 4 has been to clarify how the magnetic excitations of this strongly spin-orbit coupled system differ from the predictions of an isotropic 2D spin-1/2 Heisenberg model and to explore the extent to which strong spin-orbit coupling affects the magnetic properties of iridates. Here, we present a high-resolution inelastic light (Raman) scattering study of the low energy magnetic excitation spectrum of Sr 2 IrO 4 and doped Eu-doped Sr 2 IrO 4 as functions of both temperature and applied magnetic field. We show that the high-field (H > 1.5 T) in-plane spin dynamics of Sr 2 IrO 4 are isotropic and governed by the interplay between the applied field and the small in-plane ferromagnetic spin components induced by the Dzyaloshinskii-Moriya interaction. However, the spin dynamics of Sr 2 IrO 4 at lower fields (H < 1.5 T) exhibit important effects associated with interlayer coupling and in-plane anisotropy, including a spin-flop transition at Hc in Sr 2 IrO 4 that occurs either discontinuously or via a continuous rotation of the spins, depending upon the in-plane orientation of the applied field. Furthermore, these results show that in-plane anisotropy and interlayer coupling effects play important roles in the low-field magnetic and dynamical properties of Sr 2 IrO 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Large-gap insulating dimer ground state in monolayer IrTe2

Abstract Monolayers of two-dimensional van der Waals materials exhibit novel electronic phases distinct from their bulk due to the symmetry breaking and reduced screening in the absence of the interlayer coupling. In this work, we combine angle-resolved photoemission spectroscopy and scanning tunneling microscopy/spectroscopy to demonstrate the emergence of a unique insulating 2 × 1 dimer ground state in monolayer 1 T -IrTe 2 that has a large band gap in contrast to the metallic bilayer-to-bulk forms of this material. First-principles calculations reveal that phonon and charge instabilities as well as local bond formation collectively enhance and stabilize a charge-ordered ground state. Our findings provide important insights into the subtle balance of interactions having similar energy scales that occurs in the absence of strong interlayer coupling, which offers new opportunities to engineer the properties of 2D monolayers.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nanoscale modulation of flat bands via controllable charge density wave defects in 4⁢𝐻⁡𝑏−Ta⁢S 2

Electron correlation is a main driver of exotic quantum phases and their interplay. The 4H b-TaS 2 system, possessing an intrinsic heterostructure of 1T- and 1H -TaS 2 monolayers, offers a unique opportunity to control electron correlation by distorting the atomic lattice or tuning interlayer coupling. Here, we investigated intrinsically deformed charge-density waves (CDWs) in the 1T layer of 4H b-TaS 2 to elucidate and control their effects on flat bands using scanning tunneling microscopy and spectroscopy (STM/S) combined with first-principles calculations. We identified two types of CDW defects: Type 1 has structural distortion and locally suppressed flat bands, while Type 2 features an increased flat band filling factor of intact CDW structure. Density functional theory calculations indicate that a sulfur vacancy in the 1T layer distorts the CDW structure and gives rise to a Type 1, whereas a sulfur vacancy in the 1H layer reduces the interlayer charge transfer and leads to a Type 2. Furthermore, we demonstrated creating and erasing individual CDW defects via STM manipulation. Here, our findings provide a pathway to not only tune flat bands but also selectively manipulate the interaction between CDW, the atomic lattice, and interlayer coupling in strongly correlated systems with atomic precision.

Charge density waves↗
DOE OSTI2018

Photonic crystals for nano-light in moiré graphene superlattices

Graphene is an atomically thin plasmonic medium that supports highly confined plasmon polaritons, or nano-light, with very low loss. Electronic properties of graphene can be drastically altered when it is laid upon another graphene layer, resulting in a moiré superlattice. The relative twist angle between the two layers is a key tuning parameter of the interlayer coupling in thus-obtained twisted bilayer graphene (TBG). We studied the propagation of plasmon polaritons in TBG by infrared nano-imaging. We discovered that the atomic reconstruction occurring at small twist angles transforms the TBG into a natural plasmon photonic crystal for propagating nano-light. This discovery points to a pathway for controlling nano-light by exploiting quantum properties of graphene and other atomically layered van der Waals materials, eliminating the need for arduous top-down nanofabrication.

charge transport↗
DOE OSTI2024

Exciton–Phonon Coupling Induces a New Pathway for Ultrafast Intralayer-to-Interlayer Exciton Transition and Interlayer Charge Transfer in WS 2 –MoS 2 Heterostructure: A First-Principles Study

Despite the weak, van der Waals interlayer coupling, photoinduced charge transfer vertically across atomically thin interfaces can occur within surprisingly fast, sub-50 fs time scales. An early theoretical understanding of charge transfer is based on a noninteracting picture, neglecting excitonic effects that dominate optical properties of such materials. We employ an ab initio many-body perturbation theory approach, which explicitly accounts for the excitons and phonons in the heterostructure. Our large-scale first-principles calculations directly probe the role of exciton-phonon coupling in the charge dynamics of the WS 2 /MoS 2 heterobilayer. We find that the exciton-phonon interaction induced relaxation time of photoexcited excitons at the K valley of MoS 2 and WS 2 is 67 and 15 fs at 300 K, respectively, which sets a lower bound to the intralayer-to-interlayer exciton transfer time and is consistent with experiment reports. We further show that electron-hole correlations facilitate novel transfer pathways that are otherwise inaccessible to noninteracting electrons and holes.

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

Evolution of magnetic interactions in Sb-substituted MnBi 2 Te 4

The Mn(Bi 1–x Sb x ) 2 Te 4 series is purported to span from an antiferromagnetic (AF) topological insulator at x = 0 to a trivial AF insulator at x = 1. Here we report on neutron diffraction and inelastic neutron scattering studies of the magnetic interactions across this series. All compounds measured possess ferromagnetic (FM) triangular layers and we find a crossover from AF to FM interlayer coupling near x = 1 for our samples. The large spin gap at x = 0 closes rapidly and the average FM exchange interactions within the triangular layer increase with Sb substitution. Similar to a previous study of MnBi 2 Te 4 , we find severe spectral broadening which increases dramatically across the compositional series. In addition to broadening, we observe an additional sharp magnetic excitation in MnSb 2 Te 4 that may indicate the development of local magnetic modes originating from antisite disorder between Mn and Sb sublattices. Here, the results suggest that both substitutional and antisite disorder contribute substantially to the magnetism in Mn(Bi 1–x Sb x ) 2 Te 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗