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At least 1,009 records · Page 56

Chemical strain-dependent two-dimensional transport at R AlO 3 / SrTiO 3 interfaces ( R = La , Nd , Sm , and Gd )

Perovskite RAlO 3 (R = La, Nd, Sm, and Gd) films have been deposited epitaxially on (001) TiO 2 -terminated SrTiO 3 substrates. In this paper, it is observed that the two-dimensional transport characteristics at the RAlO 3 /SrTiO 3 interfaces are very sensitive to the species of rare-earth element, that is to chemical strain. Although electron energy loss spectroscopy measurements show that electron transfer occurs in all the four polar/nonpolar heterostructures, the amount of electrons transferred across SmAlO 3 /SrTiO 3 and GdAlO 3 /SrTiO 3 interfaces are much less than those across LaAlO 3 /SrTiO 3 and NdAlO 3 /SrTiO 3 interfaces. First-principles calculations reveal the competition between ionic polarization and electronic polarization in the polar layers in compensating the build-in polarization due to the polar discontinuity at the interface. Finally, in particular, a large ionic polarization is found in SmAlO 3 /SrTiO 3 and GdAlO 3 /SrTiO 3 systems (which experience the largest tensile epitaxial strain), hence reducing the amount of electrons transferred.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reconstruction of phonon relaxation times from systems featuring interfaces with unknown properties

We present a method for reconstructing the phonon relaxation-time function $τ_ω = τ(ω)$ (including polarization) and associated phonon free-path distribution from thermal spectroscopy data for systems featuring interfaces with unknown properties. Our method does not rely on the effective thermal-conductivity approximation or a particular physical model of the interface behavior. The reconstruction is formulated as an optimization problem in which the relaxation times are determined as functions of frequency by minimizing the discrepancy between the experimentally measured temperature profiles and solutions of the Boltzmann transport equation for the same system. Interface properties such as transmissivities are included as unknowns in the optimization; however, because for the thermal spectroscopy problems considered here the reconstruction is not very sensitive to the interface properties, the transmissivities are only approximately reconstructed and can be considered as byproducts of the calculation whose primary objective is the accurate determination of the relaxation times. The proposed method is validated using synthetic experimental data obtained from Monte Carlo solutions of the Boltzmann transport equation. The method is shown to remain robust in the presence of uncertainty (noise) in the measurement.

42 ENGINEERING↗

Depth-resolved resonant inelastic x-ray scattering at a superconductor/half-metallic-ferromagnet interface through standing wave excitation

We demonstrate that combining standing wave (SW) excitation with resonant inelastic x-ray scattering (RIXS) can lead to depth resolution and interface sensitivity for studying orbital and magnetic excitations in correlated oxide heterostructures. SW-RIXS has been applied to multilayer heterostructures consisting of a superconductor La 1.85 Sr 0.15 CuO 4 (LSCO) and a half-metallic ferromagnet La 0.67 Sr 0.33 MnO 3 (LSMO). Easily observable SW effects on the RIXS excitations were found in these LSCO/LSMO multilayers. In addition, we observe different depth distribution of the RIXS excitations. Here, the magnetic excitations are found to arise from the LSCO/LSMO interfaces, and there is also a suggestion that one of the dd excitations comes from the interfaces. SW-RIXS measurements of correlated-oxide and other multilayer heterostructures should provide unique layer-resolved insights concerning their orbital and magnetic excitations, as well as a challenge for RIXS theory to specifically deal with interface effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nanoscale structure of the oil-water interface

X-ray reflectivity (XR) and atomistic molecular dynamics (MD) simulations, carried out to determine the structure of the oil-water interface, provide new insight into the simplest liquid-liquid interface. For several oils (hexane, dodecane, and hexadecane) the XR shows very good agreement with a monotonic interface-normal electron density profile (EDP) broadened only by capillary waves. Similar agreement is also found for an EDP including a sub-Å thick electron depletion layer separating the oil and the water. As a result, the XR and MD derived depletions are much smaller than reported for the interface between solid-supported hydrophobic monolayers and water.

36 MATERIALS SCIENCE↗

Dynamic interface rearrangement in LaFeO 3 / n - SrTiO 3 heterojunctions

Thin-film synthesis methods that have developed over the past decades have unlocked emergent interface properties ranging from conductivity to ferroelectricity. However, our attempts to exercise precise control over interfaces are constrained by a limited understanding of growth pathways and kinetics. In this paper, we demonstrate that shuttered molecular beam epitaxy induces rearrangements of atomic planes at a polar/nonpolar junction of LaFeO 3 (LFO)/n-SrTiO 3 (STO) depending on the substrate termination. Surface characterization confirms that substrates with two different (TiO 2 and SrO) terminations were prepared prior to LFO deposition; however, local electron-energy-loss spectroscopy measurements of the final heterojunctions show a predominantly LaO/TiO 2 interfacial junction in both cases. Ab initio simulations suggest that the interfaces can be stabilized by trapping extra oxygen (in LaO/TiO 2 ) and forming oxygen vacancies (in FeO 2 /SrO), which points to different growth kinetics in each case and may explain the apparent disappearance of the FeO 2 /SrO interface. Finally, we conclude that judicious control of deposition time scales can be used to modify growth pathways, opening new avenues to control the structure and properties of interfacial systems.

36 MATERIALS SCIENCE↗

Deformation profile and interface-mediated defect interaction in Cu/CuZr nanolaminates: An effective-temperature description

Both simulations and experiments have suggested that Cu/CuZr nanolaminates are stronger and more ductile than their individual constituents due to interface-mediated interactions between plasticity carriers. In this work, we use the effective-temperature theories of dislocation and amorphous shear-transformation-zone (STZ) plasticity to study amorphous-crystalline interface (ACI)-mediated plasticity in Cu/CuZr nanolaminates under mechanical straining. The model is shown to capture reasonably well the measured deformation response when strained either in tension parallel to or in compression normal to the amorphous-crystalline interface. Our analysis indicates that increasing CuZr or decreasing Cu layer thickness increases the maximum flow stress for both perpendicular and parallel loading cases. Furthermore, for the cases of parallel and perpendicular loading, the maximum flow stress values are 3.4 and 2.5GPa, respectively. Furthermore, increasing the strain rate for the parallel loading case decreases the slip strain in the amorphous and crystalline layers. Additionally, for the perpendicular loading case, an increase in strain rate decreases the amorphous layer slip but increases the crystalline layer slip. In all slip strain analyses, maximum slip strain occurs at the ACI, thus indicating that plasticity carriers accumulate at the interface and are absorbed there. These findings indicate a significant anisotropy in strength with greater sensitivity to layer thickness for the case of tensile loading parallel to the ACI. Further findings signify that slip strain is more sensitive when the nanolaminate is compressed perpendicular to the ACI.

36 MATERIALS SCIENCE↗

THz emission from Co/Pt bilayers with varied roughness, crystal structure, and interface intermixing

Ultrafast demagnetization of Co/Pt heterostructures induced by a femtosecond 800-nm laser pulse launches a spin current from Co to Pt and subsequent conversion of the spin current to a charge current in the Pt layer due to the inverse spin-Hall effect. At the same time, due to the spin-dependent photogalvanic effect, a circularly polarized femtosecond laser pulse also generates a photocurrent at the Co/Pt interface. Both ultrashort photocurrent pulses are effectively detected in a contactless way by measuring the THz radiation they emit. Here we aim to understand how the properties of the Co/Pt interface affect the photocurrents in the bilayers. By varying the interfacial roughness, crystal structure, and interfacial intermixing, as well as having an explicit focus on the cases when THz emissions from these two photocurrents reveal opposite trends, we identify which interface properties play a crucial role for the photocurrents. In particular, we show that by reducing the roughness, the THz emission due to the spin-dependent photogalvanic effect reduces to zero while the strength of the THz emission from the photocurrent associated with the inverse spin-Hall effect increases by a factor of 2. On the other hand, while intermixing strongly enhances the THz emission from the inverse spin-Hall effect by a factor of 4.2, THz emission related to the spin-dependent photogalvanic effect reveals the opposite trend. Furthermore, these findings indicate that microstructural properties of the Co-Pt interface play a decisive role in the generation of photocurrents.

36 MATERIALS SCIENCE↗

Effective spin-mixing conductance of topological-insulator/ferromagnet and heavy-metal/ferromagnet spin-orbit-coupled interfaces: A first-principles Floquet-nonequilibrium Green function approach

The spin-mixing conductance (SMC) is a key quantity determining efficiency of spin transport across interfaces. Thus, knowledge of its precise value is required for accurate measurement of parameters quantifying numerous effects in spintronics, such as spin-orbit torque, spin Hall magnetoresistance, spin Hall effect, and spin pumping. However, the standard expression for SMC, provided by the scattering theory in terms of the reflection probability amplitudes, is inapplicable when strong spin-orbit coupling (SOC) is present directly at the interface. This is the precisely the case of topological-insulator/ferromagnet and heavy-metal/ferromagnet interfaces of great contemporary interest. We introduce an approach where first-principles Hamiltonian of these interfaces, obtained from noncollinear density functional theory (ncDFT) calculations, is combined with charge-conserving Floquet-nonequilibrium-Green-function formalism to compute directly the pumped spin current $I^{S_z}_L$ into semi-infinite left lead of two-terminal heterostructures Cu/X/Co/Cu or Y/Co/Cu—where X = Bi 2 Se 3 and Y = Pt or W—due to microwave-driven steadily precessing magnetization of the Co layer. This allows us to extract an effective SMC as a prefactor in $I^{S_z}_L$ versus precession cone angle θ dependence, as long as it remains the same, $I^{S_z}$ ∝ sin 2 θ , as in the case where SOC is absent. By comparing calculations where SOC in switched off versus switched on in ncDFT calculations, we find that SOC consistently reduces the pumped spin current and therefore the effective SMC.

36 MATERIALS SCIENCE↗

Interface magnetism and anomalous Hall effect in La 0.7 ⁢Sr 0.3⁢ Mn⁢O 3 /SrIr⁢O 3 bilayers

Epitaxial interfaces combining 3d and 5d transition metal oxides are a fertile playground to examine the interplay between topology and electron correlations. In this work, we explore magnetism and transport of bilayers combining ferromagnetic La 0.7⁢ Sr 0.3⁢ Mn⁢O 3 and the strong spin-orbit coupling material SrIr⁢O 3 . We have found an interfacial magnetic proximity effect driving an intrinsic contribution to the anomalous Hall effect of topological origin. The interfacial proximity interaction is enabled by the Mn-O-Ir bonding reconstruction and depends on layer sequence. While bilayers with the La 0.7⁢ Sr 0.3 ⁢Mn⁢O 3 on top featuring a robust Mn magnetism at the interface show the intrinsic AHE contribution, it is absent in bilayers with the inverted layer sequence (SrIr⁢O 3 layer on top) showing strongly suppressed magnetism at the interface. These results illustrate the leading role of interfacial atomic reconstructions on the interplay between topology and correlations at 3d/5d oxide interfaces. This finding may be of interest in future oxide topological spintronics and spin-orbitronics.

36 MATERIALS SCIENCE↗

Colloquium : Sliding and pinning in structurally lubric 2D material interfaces

A plethora of two-dimensional (2D) materials have been introduced in physics and engineering in the past two decades. Their robust, membranelike sheets permit (mostly require) deposition, giving rise to solid-solid dry interfaces whose mobility, pinning, and general tribological properties under shear stress are currently being understood and controlled, both experimentally and theoretically. Here, in this Colloquium simulated case studies of twisted graphene systems are used as a prototype workhorse tool to demonstrate and discuss the general picture of 2D material interface sliding. First highlighted is the crucial mechanical difference, often overlooked, between small and large incommensurabilities, which corresponds to, for example, small and large twist angles in graphene interfaces. In both cases, focusing on flat, structurally lubric or “superlubric” geometries, the generally separate scalings with the area of static friction in pinned states and of kinetic friction during sliding are elucidated and reviewed, tangled as they are with the effects of velocity, temperature, load, and defects. The roles of island boundaries and elasticity are also discussed, and compared when possible to results in the literature for systems other than graphene. It is proposed that the resulting picture of pinning and sliding should be applicable to interfaces in generic 2D materials that are of importance for the physics and technology of existing and future bilayer and multilayer systems.

2-dimensional systems↗

Cost-Effective Three-Phase Current Amplifier Interface for Real-time Simulator with Relays in-the-Loop

This paper presents a prototype of a simple and cost-effective design using a high-power monolithic power amplifier that allows the relay in-the-loop connectivity for protection and control applications using a real-time simulator. This low-cost amplifier interface increases the number of protective relays in-the-loop connected with the real-time simulator, expanding the scalability of protection devices that could be tested. The amplifier control design was developed in abc coordinates and utilizes integral and proportional-resonant controllers to provide a good tracking of both the fundamental component as the dc component that might be present during fault conditions. To validate the prototype, the current signals and tripping time of a relay interfaced with the current amplifier were compared against a reference relay connected to the low-voltage interface. Both protective relays were set with a U3 Very Inverse time overcurrent curve. The experimental results exhibited similar behaviors for the breaker currents, validating the amplifier interface prototype.

Ferrari Maglia, Max↗

Relationship between surface μ‐roughness and interface slurry particle spatial distribution during glass polishing

Abstract During optical glass polishing, a number of interactions between the workpiece (i.e., glass), polishing slurry, and pad can influence the resulting workpiece roughness at different spatial scale lengths. In our previous studies, the particle size distribution of the slurry, the pad topography, and the amount of material removed by a single particle on the workpiece were shown to strongly correlate with roughness at AFM scale lengths (nm‐μm) and weakly at μ‐roughness scale lengths (μm‐mm). In this study, the polishing slurry pH and the generation of glass removal products are shown to influence the slurry particle spatial and height distribution at the polishing interface and the resulting μ‐roughness of the glass workpiece. A series of fused silica and phosphate glass samples were polished with various ceria and colloidal silica slurries over a range of slurry pH , and the resulting AFM roughness and μ‐roughness were measured. The AFM roughness was largely invariant with pH , suggesting that the removal function of a single particle is unchanged with pH . However, the μ‐roughness changed significantly, increasing linearly with pH for phosphate glass and having a maximum at an intermediate pH for fused silica. In addition, the spatial and height distribution of slurry particles on the pad (as measured by laser confocal microscopy) was determined to be distinctly different at low and high pH during phosphate glass polishing. Also, the zeta potential as a function of pH was measured for the workpiece, slurry, and pad with and without surrogate glass products (K 3 PO 4 for phosphate glass and Si( OH ) 4 for silica) to assess the role of interfacial charge during polishing. The addition of K 3 PO 4 significantly raised the zeta potential, whereas addition of Si( OH ) 4 had little effect on the zeta potential. An electrostatic DLVO three‐body force model, using the measured zeta potentials, was used to calculate the particle–particle, particle–workpiece, and particle–pad attractive and repulsive forces as a function of pH and the incorporation of glass products at the interface. The model predicted an increase in particle–pad attraction with an increase in pH and phosphate glass products consistent with the measured slurry distribution on the pads during phosphate glass polishing. Finally, a slurry “island” distribution gap ( IDG ) model has been formulated which utilizes the measured interface slurry distributions and a load balance to determine the interface gap, the contact area fraction, and the load on each slurry “island”. The IDG model was then used to simulate the workpiece surface topography and μ‐roughness; the results show an increase in roughness with pH similar to that observed experimentally.

Suratwala, Tayyab↗

Impact of interface materials on side permeation in indirect encapsulation of organic electronics

This work demonstrates the impact of the contact interface between barrier films and adhesives on the side permeation of moisture into packaged devices. When barrier films are brought into contact with the adhesive layer during indirect encapsulation, permeation along defects at this interface can occur due to the imperfect nature of contact, resulting in the formation of pores. The connected network of pores can act as capillaries and be an alternative pathway for water permeation as opposed to the bulk of the adhesive or edge seal materials used for barrier attachment to the package. The rate of water permeation through the capillaries is governed by surface energies of the materials at the interfaces. Experimental results demonstrate that the rate of water permeation is significantly lowered by using materials with higher contact angles at the interface.

36 MATERIALS SCIENCE↗

Investigating the magnetic and atomic interface configuration for a model Fe/CrN bilayer system

A bilayer of iron on chromium nitride (Fe/CrN) is an interesting system for exchange biasing and sensing applications as the Néel temperature of CrN is 280 K and the Curie temperature of Fe is 1043 K. In this paper, we study the crystal and magnetic structures of the Fe/CrN interface at the atomic level. High quality epitaxial Fe/CrN bilayers prepared by molecular beam epitaxy grow in 001 orientation on MgO(001) substrates with uniform layer thicknesses and sharp interfaces. Our data reveal the epitaxial correlation between Fe and CrN crystals and their magnetic structures at the interface. The magnetic anisotropy directions of Fe and CrN are found parallel to [110] MgO . We studied the electronic and magnetic properties of the interface by performing the first-principles total-energy calculations. Here, we present a model that combines the crystal and magnetic structures of the Fe/CrN bilayer and fully explains all results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

In situ x-ray photoelectron spectroscopy analysis of electrochemical interfaces in battery: Recent advances and remaining challenges

An in-depth understanding of charge transfer processes at the electrochemical interfaces is a critical knowledge gap impeding the design of energy storage materials. X-ray photoelectron spectroscopy plays an important role in analyzing electronic structures of heterogeneous interfaces, such as electrode-electrolyte interphases. Correspondingly, ex situ studies based on postmortem analysis of electrode materials using x-ray techniques are widely reported in the literature but often fail to capture intermediate and transient species, which are critical for a predictive understanding of the charge transfer process. The lack of extensive in situ/operando x-ray analysis of buried interfaces in energy storage systems can be mainly attributed to technical limitations, such as the requirement of high vacuum conditions. However, in the past decade, considerable efforts have been devoted to overcoming these technical barriers and enable investigation of the solid/solid and solid/liquid interfaces. This review catalogs some of the recent progresses and new experimental designs in the application of in situ and operando x-ray photoelectron spectroscopy toward characterizing interfacial processes and emergent properties, which can help build the design strategy for advanced batteries. The remaining challenges and future research directions are also discussed, as potential paths forward in this field.

Wi, Sungun↗

Ultrafast direct electron transfer at organic semiconductor and metal interfaces

The ability to control direct electron transfer can facilitate the development of new molecular electronics, light-harvesting materials, and photocatalysis. However, control of direct electron transfer has been rarely reported, and the molecular conformation–electron dynamics relationships remain unclear. We describe direct electron transfer at buried interfaces between an organic polymer semiconductor film and a gold substrate by observing the first dynamical electric field–induced vibrational sum frequency generation (VSFG). In transient electric field– induced VSFG measurements on this system, we observe dynamical responses (<150 fs) that depend on photon energy and polarization, demonstrating that electrons are directly transferred from the Fermi level of gold to the lowest unoccupied molecular orbital of organic semiconductor. Transient spectra further reveal that, although the interfaces are prepared without deliberate alignment control, a sub-ensemble of surface molecules can adopt conformations for direct electron transfer. Density functional theory calculations support the experimental results and ascribe the observed electron transfer to a flat-lying polymer configuration in which electronic orbitals are found to be delocalized across the interface. The present observation of direct electron transfer at complex interfaces and the insights gained into the relationship between molecular conformations and electron dynamics will have implications for implementing novel direct electron transfer in energy materials.

36 MATERIALS SCIENCE↗

High-throughput identification of spin-photon interfaces in silicon

Color centers in host semiconductors are prime candidates as spin-photon interfaces for quantum applications. Finding an optimal spin-photon interface in silicon would move quantum information technologies toward a mature semiconducting host. However, the space of possible charged defects is vast, making the identification of candidates from experiments alone extremely challenging. Here, we use high-throughput first-principles computational screening to identify spin-photon interfaces among more than 1000 charged defects in silicon. The use of a single-shot hybrid functional approach is critical in enabling the screening of many quantum defects with a reasonable accuracy. We identify three promising spin-photon interfaces as potential bright emitters in the telecom band: Ti$^+_i$, Fe$^0_i$, and Ru$^0_i$. These candidates are excited through defect-bound excitons, stressing the importance of such defects in silicon for telecom band operations. Our work paves the way to further large-scale computational screening for quantum defects in semiconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Stabilizing perovskite-substrate interfaces for high-performance perovskite modules

The interfaces of perovskite solar cells (PSCs) are important in determining their efficiency and stability, but the morphology and stability of imbedded perovskite-substrate interfaces have received less attention than have top interfaces. We found that dimethyl sulfoxide (DMSO), which is a liquid additive broadly applied to enhance perovskite film morphology, was trapped during film formation and led to voids at perovskite-substrate interfaces that accelerated the film degradation under illumination. Partial replacement of DMSO with solid-state carbohydrazide reduces interfacial voids. A maximum stabilized power conversion efficiency (PCE) of 23.6% was realized for blade-coated p-type/intrinsic/n-type (p-i-n) structure PSCs with no efficiency loss after 550-hour operational stability tests at 60°C. The perovskite mini-modules showed certified PCEs of 19.3 and 19.2%, with aperture areas of 18.1 and 50.0 square centimeters, respectively.

Chen, Shangshang↗