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At least 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Monolayer Superconductivity and Tunable Topological Electronic Structure at the Fe(Te,Se)/Bi 2 Te 3 Interface

The interface between 2D topological Dirac states and an s-wave superconductor is expected to support Majorana-bound states (MBS) that can be used for quantum computing applications. Realizing these novel states of matter and their applications requires control over superconductivity and spin-orbit coupling to achieve spin-momentum-locked topological interface states (TIS) which are simultaneously superconducting. While signatures of MBS have been observed in the magnetic vortex cores of bulk FeTe 0.55 Se 0.45 , inhomogeneity and disorder from doping make these signatures unclear and inconsistent between vortices. In this work, superconductivity is reported in monolayer (ML) FeTe 1–y Se y (Fe(Te,Se)) grown on Bi 2 Te 3 by molecular beam epitaxy (MBE). Spin and angle-resolved photoemission spectroscopy (SARPES) directly resolve the interfacial spin and electronic structure of Fe(Te,Se)/Bi 2 Te 3 heterostructures. For y = 0.25, the Fe(Te,Se) electronic structure is found to overlap with the Bi 2 Te 3 TIS and the desired spin-momentum locking is not observed. In contrast, for y = 0.1, reduced inhomogeneity measured by scanning tunneling microscopy (STM) and a smaller Fe(Te,Se) Fermi surface with clear spin-momentum locking in the topological states are found. Hence, it is demonstrated that the Fe(Te,Se)/Bi 2 Te 3 system is a highly tunable platform for realizing MBS where reduced doping can improve characteristics important for Majorana interrogation and potential applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Tailoring Molecular-Scale Contact at Perovskite/Polymeric Hole Transporting Material Interface for Efficient Solar Cells

Perovskite solar cells (PSCs) have delivered more than 25% of power conversion efficiency (PCE) and incorporating polymers as hole transporting layers (HTLs) can further enhance the stability of devices towards the goal of commercialization. Among various polymeric hole transporting materials, poly(triaryl amine) (PTAA) is one of the promising HTL candidates with good stability; however, the hydrophobicity of PTAA causes problematic interfacial contact with perovskite, limiting the device performance. Using molecular side-chain engineering, we successfully constructed a uniform two-dimensional (2D) perovskite interlayer with conjugated ligands, between three-dimensional (3D) perovskites and PTAA. Further, employing conjugated ligands as cohesive elements, perovskite/PTAA interfacial adhesion was significantly improved. As a result, the thin and lateral extended 2D/3D heterostructure enabled the as-fabricated PTAA-based PSCs to achieve a PCE of 23.7%, improved from the 18% of reference devices. Owing to the increased ion migration energy barrier and conformal 2D coating, unencapsulated devices with the new ligands exhibited both superior thermal stability under 60°C heating and moisture stability in ambient conditions.

14 SOLAR ENERGY↗
DOE OSTI2023

Exchange Bias Between van der Waals Materials: Tilted Magnetic States and Field-Free Spin–Orbit-Torque Switching

Magnetic van der Waals heterostructures provide a unique platform to study magnetism and spintronics device concepts in the 2D limit. Here, studies of exchange bias from the van der Waals antiferromagnet CrSBr acting on the van der Waals ferromagnet Fe3GeTe2 (FGT) are reported. Additionally, the orientation of the exchange bias is along the in-plane easy axis of CrSBr, perpendicular to the out-of-plane anisotropy of the FGT, inducing a strongly tilted magnetic configuration in the FGT. Furthermore, the in-plane exchange bias provides sufficient symmetry breaking to allow deterministic spin–orbit torque switching of the FGT in CrSBr/FGT/Pt samples at zero applied magnetic field. A minimum thickness of the CrSBr of >10 nm is needed to provide a non-zero exchange bias at 30 K.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Strain Fluctuations Unlock Ferroelectricity in Wurtzites

Ferroelectrics are of practical interest for non-volatile data storage due to their reorientable, crystallographically defined polarization. Yet efforts to integrate conventional ferroelectrics into ultrathin memories have been frustrated by film-thickness limitations, which impede polarization reversal under low applied voltage. Wurtzite materials, including magnesium-substituted zinc oxide (Zn,Mg)O, have been shown to exhibit scalable ferroelectricity as thin films. In this work, the origins of ferroelectricity in (Zn,Mg)O are explained, showing that large strain fluctuations emerge locally in (Zn,Mg)O and can reduce local barriers to ferroelectric switching by more than 40%. Concurrent experimental and computational evidence of these effects are provided by demonstrating polarization switching in ZnO/(Zn,Mg)O/ZnO heterostructures featuring built-in interfacial strain gradients. These results open up an avenue to develop scalable ferroelectrics by controlling strain fluctuations atomistically.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Applications of Strain-Coupled Magnetoelectric Composites

This article deals with research, development and future directions of magnetoelectric composites for practical devices applications. In the past 20 years there has been a surge of research in the area of multiferroics (MF) and magnetoelectrics (ME) due to their potential to replace existing technologies based only on ferroelectric or ferromagnetic materials. Some of the magnetoelectric composites show exceptionally high potential in the area of magnetic field sensors, however, work remains before commercialization can be realized. The cross coupling among various ferroic parameters in magnetoelectric composites is several orders higher than single phase magetoelectrics, which make its favorable for low detection (nT or pT) magnetic field sensors. Advances in both layered structures or controlled three-dimensional matrix composites for applications as magnetoelectric nonvolatile memory elements are both required. Robust cross-coupling among various parameters with more than four logic states and its compatibility with complementary-symmetry metal–oxide–semiconductor (CMOS) technology are the main requirements for heterostructure magnetoelectric thin films. The major hurdles in the area of magnetoelectric nonvolatile memory elements are poor interfacial properties and weak magnetoelectric coupling for high density fast read and write processes. Another potential area is strained coupled magneto-electric composites where magnetostriction mediated dimensional change in the magnetic layer effectively modulate the change in the dimension of piezoelectric layers via piezostriction, which leads to a strong ME coupling where their coupling magnitude is sufficient for magnetic field sensors. Energy harvesters based on magnetoelectric composites are also intriguing concepts to capture various types of waste energy, in the form mechanical vibration, pressure, wind energy, hydrothermal and waste temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Interfacial antiferromagnetic phase induced two-step magnetization reversal in PbZr 0.52 Ti 0.48 O3/La 0.67 Sr 0.33 MnO 3 superlattices

Artificial multiferroic heterostructures have recently attracted much interests due to the demonstrated magnetoelectric coupling (MEC) and unique functionalities, promising a tantalizing perspective of novel applications in next-generation electronic, memory, sensor, and energy harvesting technologies. Herein, we report a two-step magnetization reversal in PbZr 0.52 Ti 0.48 O 3 /La 0.67 Sr 0.33 MnO 3 (PZT/LSMO) superlattices, which originates from the strongly entangled strain-, ferroelectric (FE)-polarization-, and exchange-dependent effects. Specifically, the preferential occupancy of the in-plane Mn d x 2 -y 2 orbitals is triggered via the collective effects of the large tensile strain and FE polarization, giving rise to an interfacial antiferromagnetic (AFM) layer with strong AFM anisotropy. The strong spin exchange coupling between the AFM layer and the adjacent ferromagnetic (FM) layer facilitates the magnetic stratification of the FM layer, leading to two coercivities, i.e., two-step magnetization reversal. Meanwhile, a sizeable exchange bias (EB) field is induced. The emerged two-step magnetization reversal concomitant with the pronounced EB phenomenon should be a signature of an enhanced MEC in PZT/LSMO superlattices. Finally, our results will stimulate further interests in multiferroic superlattices in applications of multiferroic-based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Correlation between thickness dependent nanoscale structural chemistry and superconducting properties of ultrathin epitaxial NbN films

NbN-based superconductors have attracted interest for superconducting circuits, quantum computation and high frequency devices. The superconducting properties of NbN films are predominately reliant on the microstructure, therefore, an atomic-level understanding of the structure-chemistry is required to achieve high quality epitaxial NbN films. Here, in this study, the thickness-dependent superconducting properties of NbN films (5, 10, and 50 nm) within NbN/AlN/Al 2 O 3 heterostructures are investigated. NbN and AlN were epitaxially grown by an industrial scale physical vapor deposition technique. The role of nanoscale chemistry on the ultrathin NbN superconducting film is investigated at the atomic level for the first time via atom probe tomography, providing three-dimensional atomic distribution, chemical homogeneity, effect of impurities, specially, in secondary phase formations and interfacial abruptness. The NbN film with 5 nm of thickness demonstrates a superconducting transition temperature of 11.2 K as compared to 50 nm NbN films with a transition temperature of 15.3 K. These thickness dependent variation of superconducting properties are associated with the chemical inhomogeneity in terms of in-plane N:Nb distribution, secondary phase formations and NbN/AlN interfacial abruptness as a function of the NbN films thicknesses. The analysis depicts the interplay between the surface/interface and the superconducting properties of ultrathin NbN films. These results provide insights on material design and growth that will enable the development of optimized superconducting NbN films for quantum devices.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Modular multi-interface nanocrystals for enhanced ethanol oxidation electrocatalysis

Electrochemical processes that utilize biomass-derived ethanol as a source of electrons and protons offer a sustainable energy strategy, yet their practical implementation is limited by sluggish ethanol oxidation reaction (EOR) kinetics and catalyst poisoning. Here, in this study, we report a modular multi-interface nanocrystal catalyst comprising core/shell Co 2 P/Pd and Pd-Au heterostructured interfaces that exhibit complementary functions for the enhanced EOR catalysis. The Co 2 P/Pd interface boosts Pd atom utilization and lowers the kinetic barriers for ethanol-to-acetate conversion, while the Pd-Au interface effectively alleviates CO poisoning caused by C–C bond cleavage of ethanol. In-depth analyses using in situ attenuated total reflectance-surface-enhanced infrared absorption spectroscopy, differential electrochemical mass spectrometry, and density functional theory calculations elucidate the mechanistic roles of these interfaces. The optimized Co 2 P/Pd-Au 0.08 nanorods achieve an excellent mass activity, underscoring the potential of modular, multi-interface nanocrystals for advancing EOR catalysis and offering a generalizable strategy for broader catalytic innovations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
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 OSTI2021

Predicting and Synthesizing Interface Stabilized 2D Layers

The compound (Pb 2 MnSe 3 ) 0.6 VSe 2 was predicted to be kinetically stable based on density functional theory (DFT) calculations on an island of Pb 2 MnSe 3 between layers of VSe 2 . This approach provides a high degree of freedom by not forcing interlayer lattice match, making it ideal to investigate the likelihood of formation of new incommensurate layer misfit structures. The free space around the island is critical, as it allows atoms to diffuse and hence exploring the local energy landscape around the initial configuration. (Pb 2 MnSe 3 ) 0.6 VSe 2 was synthesized via a near diffusionless reaction from precursors where a repeating sequence of elemental layers matches the local composition and layer sequence of the predicted compound. The VSe 2 layer consists of a Se–V–Se trilayer with octahedral coordination of the V atoms. The Pb 2 MnSe 3 layer consists of three rock-salt-like planes, with a MnSe layer between the planes of PbSe. The center MnSe plane stabilizes the puckering of the outer PbSe layers. Electrical properties indicate that (Pb 2 Mn 1 Se 3 ) 0.6 VSe 2 undergoes a charge density wave transition at ~100 K and orders ferromagnetically at 35 K. Overall, the combination of theory and experiment enables a faster convergence to new heterostructures than either approach in isolation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Synthesis and Electrical Properties of a New Compound (BiSe) 0.97 (Bi 2 Se 3 ) 1.26 (BiSe) 0.97 (MoSe 2 ) Containing Metallic 1T-MoSe 2

The synthesis and electrical properties of a new misfit compound containing BiSe, Bi 2 Se 3 , and MoSe 2 constituent layers are reported. The reaction pathway involves competition between the formation of (BiSe) 1+x (Bi 2 Se 3 ) 1+y (BiSe) 1+x (MoSe 2 ) and [(Bi 2 Se 3 ) 1+y ] 2 (MoSe 2 ). Excess Bi and Se are required in the precursor to synthesize (BiSe) 1+x (Bi 2 Se 3 ) 1+y (BiSe) 1+x (MoSe 2 ). High-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM) confirm the stacking sequence of the heterostructure. Small grains of both 2H- and 1T-MoSe 2 are observed in the MoSe 2 layers. X-ray photoelectron spectroscopy (XPS) indicates that there is a significantly higher percentage of 1T-MoSe 2 in (BiSe) 1+x (Bi 2 Se 3 ) 1+y (BiSe) 1+x (MoSe 2 ) than in (BiSe) 0.97 (MoSe 2 ), suggesting that more charge transfer to MoSe 2 occurs due to the additional BiSe layer. The additional charge transfer results in (BiSe) 1+x (Bi 2 Se 3 ) 1+y (BiSe) 1+x (MoSe 2 ) having a low resistivity (14–19 μΩ m) with metallic temperature dependence. Furthermore, the heterogeneous mix of MoSe 2 polytypes observed in the XPS complicates the interpretation of the Hall data as two bands contribute to the electrical continuity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Monolayer Semiconductor Auger Detector

Auger recombination in semiconductors is a many-body phenomenon in which the recombination of electrons and holes is accompanied by excitation of other charge carriers. The excess energy of the excited carriers is normally rapidly converted to heat, making Auger processes difficult to probe directly. In this paper, we employ a technique in which the Auger-excited carriers are detected by their ability to tunnel out of the semiconductor through a thin barrier, generating a current. We use vertical van der Waals heterostructures with monolayer WSe 2 as the semiconductor, with hexagonal boron nitride as the tunnel barrier, and a graphite collector electrode. The Auger processes combined with resonant absorption produce characteristic negative photoconductance. We detect holes Auger-excited by both neutral and charged excitons and find that the Auger scattering is surprisingly strong under weak excitation. Our work expands the range of techniques available for probing relaxation processes in 2D materials.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Hyperbolic Cooper-Pair Polaritons in Planar Graphene/Cuprate Plasmonic Cavities

Hyperbolic Cooper-pair polaritons (HCP) in cuprate superconductors are of fundamental interest due to their potential for providing insights into the nature of unconventional superconductivity. In this study, we critically assess an experimental approach using near-field imaging to probe HCP in Bi 2 Sr 2 CaCu 2 O 8+x (Bi-2212) in the presence of graphene surface plasmon polaritons (SPP). Our simulations show that inherently weak HCP features in the near-field can be strongly enhanced when coupled to graphene SPP in layered graphene/hexagonal boron nitride (hBN)/Bi-2212 heterostructures. This enhancement arises from our multilayered structures effectively acting as plasmonic cavities capable of altering collective modes of a layered superconductor by modifying its electromagnetic environment. The degree of enhancement can be selectively controlled by tuning the insulating spacer thickness with atomic precision. Finally, we verify the expected renormalization of room-temperature graphene SPP using near-field infrared imaging. Our modeling, augmented with data, attests to the validity of our approach for probing HCP modes in cuprate superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Dimensional Control of Octahedral Tilt in SrRuO 3 via Infinite-Layered Oxides

Manipulation of octahedral distortion at atomic scale is an effective means to tune the ground states of functional oxides. Previous work demonstrates that strain and film thickness are variable parameters to modify the octahedral parameters. However, selective control of bonding geometry by structural propagation from adjacent layers is rarely studied. Here we propose a new route to tune the ferromagnetism in SrRuO 3 (SRO) ultrathin layers by oxygen coordination of adjacent SrCuO 2 (SCO) layers. The infinite-layered CuO 2 exhibits a structural transformation from “planar-type” to “chain-type” with reduced film thickness. Two orientations dramatically modify the polyhedral connectivity at the interface, thus altering the octahedral distortion of SRO. The local structural variation changes the spin state of Ru and orbital hybridization strength, leading to a significant change in the magnetoresistance and anomalous Hall resistivity. Furthermore, these findings could launch investigations into adaptive control of functionalities in quantum oxide heterostructures using oxygen coordination.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Quantum Spin Hall Edge States and Interlayer Coupling in Twisted Bilayer WTe 2

The quantum spin Hall (QSH) effect, characterized by topologically protected spin-polarized edge states, was recently demonstrated in monolayers of the transition metal dichalcogenide (TMD) WTe 2 . However, the robustness of this topological protection remains largely unexplored in van der Waals heterostructures containing one or more layers of a QSH insulator. Here, we use scanning tunneling microscopy and spectroscopy (STM/STS) to explore the topological nature of twisted bilayer (tBL) WTe 2 . Furthermore, at the tBL edges, we observe the characteristic spectroscopic signatures of the QSH edge states. For small twist angles, a rectangular moiré pattern develops, which results in local modifications of the band structure. Using first-principles calculations, we quantify the interactions in tBL WTe 2 and its topological edge states as a function of interlayer distance and conclude that it is possible to engineer the topology of WTe 2 bilayers via the twist angle as well as interlayer interactions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Spontaneous Lithiation of Binary Oxides during Epitaxial Growth on LiCoO 2

Epitaxial growth is a powerful tool for synthesizing heterostructures and integrating multiple functionalities. Interfacial mixing can readily occur at temperatures required for complete film crystallization and can significantly modify the properties of layered structures, particularly for those containing energy storage materials with smaller cations. Here we show a two-step sequence involving the growth of an epitaxial LiCoO 2 cathode layer followed by the deposition of a binary transition metal oxide (WO 3 , TiO 2 , and others) in which controlled lithiation of the binary oxide occurs. Orientation-controlled epitaxial synthesis of the model solid-state-electrolyte Li 2 WO 4 and model anode material Li 4 Ti 5 O 12 occurs as WO 3 and TiO 2 nucleate their respective host lattices and attract Li ions from the underlying cathode. The cathode layer readily provides a tunable amount of Li ions for the controlled lithiation of the subsequent layer. We demonstrate that this approach can be used for energy materials discovery and exploring different combinations of epitaxial interfaces that can serve as well-defined model systems for mechanistic studies of energy storage and conversion processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Superconducting Fourfold Fe(Te,Se) Film on Sixfold Magnetic MnTe via Hybrid Symmetry Epitaxy

Epitaxial Fe(Te,Se) thin films have been grown on various substrates but never been grown on magnetic layers. In this work, we report the epitaxial growth of fourfold Fe(Te,Se) film on a sixfold antiferromagnetic insulator, MnTe. The Fe(Te,Se)/MnTe heterostructure shows a clear superconducting transition at around 11 K, and the critical magnetic field measurement suggests the origin of the superconductivity to be bulk-like. Structural characterizations suggest that the uniaxial lattice match between Fe(Te,Se) and MnTe allows a hybrid symmetry epitaxy mode, which was recently discovered between Fe(Te,Se) and Bi 2 Te 3 . Furthermore, the Te/Fe flux ratio during deposition of the Fe(Te,Se) layer is found to be critical for its superconductivity. Now that superconducting Fe(Te,Se) can be grown on two related hexagonal platforms, Bi 2 Te 3 and MnTe, this result opens a new possibility of combining topological superconductivity of Fe(Te,Se) with the rich physics in the intrinsic magnetic topological materials (MnTe) n (Bi 2 Te 3 ) m family.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Gate-Tunable Proximity Effects in Graphene on Layered Magnetic Insulators

The extreme versatility of van der Waals materials derives from their ability to exhibit new electronic properties when assembled in proximity with dissimilar crystals. 1 For example, although graphene is inherently non-magnetic, recent work has reported a magnetic proximity effect in graphene interfaced with magnetic substrates, potentially enabling a pathway towards achieving a high-temperature quantum anomalous Hall effect. Here, we investigate heterostructures of graphene and chromium trihalide magnetic insulators (CrI 3 , CrBr 3 , and CrCl 3 ). Surprisingly, we are unable to detect a magnetic exchange field in the graphene, but instead discover proximity effects featuring unprecedented gate-tunability. The graphene becomes highly hole-doped due to charge transfer from the neighboring magnetic insulator, and further exhibits a variety of atypical gate-dependent transport features. The charge transfer can additionally be altered upon switching the magnetic states of the nearest CrI 3 layers. In conclusion, our results provide a roadmap for exploiting proximity effects arising in graphene coupled to magnetic insulators.

2D magnet↗