Results for “Atomic Interface” — Page 47

DOE OSTI2015

Modification of the structural and magnetic properties of granular FePt films by seed layer conditioning

The steadily increasing amount of digital information necessitates the availability of reliable high capacity magnetic data storage. Here, future hard disk drives with extended areal storage densities beyond 1.0 Tb/in{sup 2} are envisioned by using high anisotropy granular and chemically L1{sub 0}-ordered FePt (002) perpendicular media within a heat-assisted magnetic recording scheme. Perpendicular texturing of the [001] easy axes of the individual grains can be achieved by using MgO seed layers. It is therefore investigated, if and how an Ar{sup +} ion irradiation of the MgO seed layer prior to the deposition of the magnetic material influences the MgO surface properties and hereby the FePt [001] texture. Structural investigations reveal a flattening of the seed layer surface accompanied by a change in the morphology of the FePt grains. Moreover, the fraction of small second layer particles and the degree of coalescence of the primarily deposited FePt grains strongly increases. As for the magnetic performance, this results in a reduced coercivity along the magnetic easy axis (out of plane) and in enhanced hard axis (in-plane) remanence values. The irradiation induced changes in the magnetic properties of the granular FePt-C films are traced back to the accordingly modified atomic structure of the FePt-MgO interface region.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Moderate positive spin Hall angle in uranium

We report measurements of spin pumping and the inverse spin Hall effect in Ni{sub 80}Fe{sub 20}/uranium bilayers designed to study the efficiency of spin-charge interconversion in a super-heavy element. We employ broad-band ferromagnetic resonance on extended films to inject a spin current from the Ni{sub 80}Fe{sub 20} (permalloy) into the uranium layer, which is then converted into an electric field by the inverse spin Hall effect. Surprisingly, our results suggest a spin mixing conductance of order 2 × 10{sup 19} m{sup −2} and a positive spin Hall angle of 0.004, which are both merely comparable with those of several transition metals. These results thus support the idea that the electronic configuration may be at least as important as the atomic number in governing spin pumping across interfaces and subsequent spin Hall effects. In fact, given that both the magnitude and the sign are unexpected based on trends in d-electron systems, materials with unfilled f-electron orbitals may hold additional exploration avenues for spin physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Effects of Sn substitution in SrRuO 3 epitaxial films

Epitaxial SrRu 1–x Sn x O 3 (0 ≤ x ≤ 1) thin films were deposited on SrTiO 3 (001) substrates by sequential two-target synthesis using pulsed laser deposition to achieve stable phases in this family of quaternary perovskites. The SrRu 1–x Sn x O 3 films exhibit a good crystalline quality, a sharp interface between film and substrate, and an atomically smooth surface. A gradual expansion of the c-axis lattice parameter was observed with Sn doping serving as a means to tune chemical pressure and magnetism. With an increase in Sn doping, the resistivity of the film increased, and the ferromagnetism decreased. These results illustrate use of lattice engineering, e.g., tuning of c-axis lattice parameter with chemical doping, to control electronic and magnetic properties of epitaxial thin films for applications in oxide electronics.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Dose dependence of radiation damage in nano-structured amorphous SiOC/crystalline Fe composite

Here, through examination of radiation tolerance properties of amorphous silicon oxycarbide (SiOC) and crystalline Fe composite to averaged damage levels, from approximately 8 to 30 displacements per atom (dpa), we demonstrated that the Fe/SiOC interface and the Fe/amorphous Fe x Si y O z interface act as efficient defect sinks and promote the recombination of vacancies and interstitials. For thick Fe/SiOC multilayers, a clear Fe/SiOC interface remained and no irradiation-induced mixing was observed even after 32 dpa. For thin Fe/SiOC multilayers, an amorphous Fe x Si y O z intermixed layer was observed to form at 8 dpa, but no further layer growth was observed for higher dpa levels.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Selective Reflection of Potassium Vapor Nanolayers in a Magnetic Field

The selective reflection of laser radiation from the interface between a dielectric window and the atomic vapors confined in a nanocell of thickness L ≈ 350 nm is used to develop effective Doppler-broadening- free spectroscopy of potassium atoms. A small atomic line width and a relation between the signal intensity and the transition probability allowed us to resolve four lines of atomic transitions responsible for the D1 lines of the {sup 39}K and {sup 41}K isotopes. Two groups containing four atomic transitions form in an applied magnetic field upon pumping by radiation with circular polarization σ{sup +} or σ{sup –}. Different intensities (probabilities) of transitions for the σ{sup +} and σ{sup –} excitations are detected in magnetic field B{sub 0} ≈ A{sub hfs}/μ{sub B} ≈ 165 G (A{sub hfs} is the magnetic dipole constant for the ground state and μ{sub B} is the Bohr magneton). A substantially different situation is observed at B ≫ B{sub 0}, since high symmetry appears for the two groups formed by radiation with circular polarization σ{sup +} or σ{sup –}. Each group is the mirror image of the other group with respect to the frequency of the 4{sup 2}S{sub 1/2}–4{sup 2}P{sub 1/2} transition, which additionally proves the occurrence of the complete Paschen–Back regime of the hyperfine structure at B ≈ 2.5 kG. A developed theoretical model well reproduces the experimental results. Possible practical applications are described. The results obtained can also be applied to the D{sub 1} lines of {sup 87}Rb and {sup 23}Na.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

An Integrated Study of a Novel Thermal Coating for Nb-Based High Temperature Alloy

This report summarizes our recent works of ab initio density functional theory (DFT) method and molecular dynamics (MD) simulation on the interfaces between niobium substrate and coatings at atomic level. Potential oxidation barrier bond coat, Nb₂AlC and high entropy alloys, and top coat candidates were synthesized, characterized, and evaluated in our labs. The simulation methods, experimental validation techniques, achievements already reached, students and postdoc training, and future improvement are briefly introduced.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2018

Quantum Spin Chains: Extent and Persistence of Magnetic Interactions as a Function of Length and Spin

The purpose of this experiment was to gain an improved understanding of magnetic ordering in one-dimensional chains of Fe atoms intercalated with Co or H 2 . Samples were fabricated by stacking layers of phthalocyanines (Pc), macrocyclic square planar molecules, hosting a single transition metal atom in their centre to form well-defined 1D chains, termed MPcs. Superlattices of various chain lengths were prepared on gold-coated sapphire substrates, to study the effects of proximity coupling and the interactions between different metal species. XMCD is ideally suited for this purpose as it provides an element-specific probe of magnetization, as well as resolving different sites and energy levels for each element. We were interested in studying the introduction of ferromagnetism in Co by coupling to the Fe, as well as changes in the co-ordination and local symmetry of atoms in the 1D chains near the interface.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Autonomous Synthesis of Metastable Materials Using a Modular Mixed-Flow Reactor

Understanding and controlling atomic-level processes at solid-liquid interfaces is key to advancing technologies in energy storage, carbon capture, critical element recovery, and materials synthesis. Many of these processes are dominated by the formation of short-lived intermediate precipitates that determine the final properties of synthesized materials. However, studying these intermediates is challenging due to their sensitivity and the reliance on trial-and-error methods. To address this, we developed an automated variable-volume mixed-flow reactor (MFR) to optimize metastable material synthesis and investigate rapid kinetic processes. This state-of-the-art MFR system, paired with an automated modeling framework, enables efficient synthesis and real-time analysis of transient phases. Benchmarking with advanced capabilities, such as wide-/small-angle X-ray scattering, allows us to resolve fast nucleation and growth dynamics that were previously inaccessible. By combining automation, ML-guided optimization, and tailored kinetic modeling, this approach provides a robust platform for improving material design and achieving precise control over solid-liquid reactions.

36 MATERIALS SCIENCE↗

NASA NTRS1982

Electronic levels and charge distribution near the interface of nickel

The energy levels in clusters of nickel atoms were investigated by means of a series of cluster calculations using both the multiple scattering and computational techniques (designated SSO) which avoids the muffin-tin approximation. The point group symmetry of the cluster has significant effect on the energy of levels nominally not occupied. This influences the electron transfer process during chemisorption. The SSO technique permits the approaching atom or molecule plus a small number of nickel atoms to be treated as a cluster. Specifically, molecular levels become more negative in the O atom, as well as in a CO molecule, as the metal atoms are approached. Thus, electron transfer from the nickel and bond formation is facilitated. This result is of importance in understanding chemisorption and catalytic processes.

Waber, J. T.↗

NASA NTRS1985

Interdiffusional effects between tungsten fibers and an iron-nickel-base alloy

Tungsten fibers in the INCOLOY 903 alloy were annealed for over 100 hours at 1038 C and 1200 C. It was found that interdiffusion results in the formation of a reaction zone. SEM-EDS probe analysis showed that the chemistries across this zone were constant, suggesting the zone was a compound phase. The composition of the compound was estimated to be that of a mu-type phase. The local chemistry (in atomic percent) at the reaction zone/alloy matrix interface was found to be approximately 8 pct W, 1.2 pct Nb, 40 pct Fe, 14 pct Co, and 36 pct Ni. In addition, recrystallization was observed in both the remaining tungsten fiber and the nearby INCOLOY 903 matrix after annealing at 1200 C, but not at 1038 C. The results of this study suggest that reaction zone growth kinetics can be minimized by the reduction of Co and Fe and the increase of W in the matrix alloy.

Caulfield, T.↗

NASA NTRS1996

PtSi/Si LWIR Detectors Made With p+ Doping Spikes

PtSi/Si Schottky-barrier devices detecting long-wavelength infrared (LWIR) photons demonstrated. Essential feature of one of these devices is p+ "doping spike"; layer of Si about 10 Angstrom thick, located at PtSi/Si interface, and doped with electron acceptors (boron atoms) at concentration between 5 x 10(19) and 2 x 10(20) cm(-3). Doping spikes extend cutoff wavelengths of devices to greater values than otherwise possible.

Lin, True-Lon↗

DOE OSTI2021

High-Level Synthesis of Parallel Specifications Coupling Static and Dynamic Controllers

The increased need for efficient ways to implement domain-specific accelerators is driving design methodologies towards the use of abstractions higher than the Register Transfer Level (RTL). In this scenario, High Level Synthesis (HLS) plays a significant role by enabling the automatic generation of custom hardware accelerators starting from high level descriptions (e.g., C code). Conventional HLS tools exploit parallelism mostly at the Instruction Level (ILP). They statically schedule the input specifications, and build centralized Finite State Machine (FSM) controllers. However, aggressive exploitation of ILP in many applications has diminishing returns and, usually, centralized approaches do not efficiently exploit coarser parallelism because FSMs are inherently serial. In this paper we present a HLS framework able to synthesize applications that, beside ILP, also expose Task Level Parallelism (TLP). An application can expose TLP through annotations that identify the parallel functions (i.e., tasks). To generate accelerators that efficiently execute concur- rent tasks, we need to solve several issues: devise a mechanism to support concurrent execution flows, exploit memory parallelism, and manage synchronization. To support concurrent execution flows, we introduce a novel adaptive controller. The adaptive controller is composed of a set of interacting control elements that independently manage the execution of a single operation or function call. These control elements check dependencies and resource constraints at runtime, enabling as soon as possible execution. To support parallel access to shared memories and synchronization, we introduce a novel Hierarchical Memory Interface (HMI). With respect to previous solutions, the proposed interface supports multi-ported memories and atomic memory operations, which commonly occur in parallel programming. Our framework can generate the hardware implementation of C functions by employing two different approaches, depending on its characteristics. If a function exposes TLP, then the framework generates hardware implementations based on the adaptive controller. Otherwise, the framework implements the function by exploiting a more conventional FSM approach, which is optimized for ILP exploitation. We evaluate our framework on a set of parallel applications, and show substantial performance improvements (average speedup of 4.7) with limited area over- heads (average area increase of 5.48 times).

Castellana, Vito G.↗

DOE OSTI2021

High-Level Synthesis of Parallel Specifications Coupling Static and Dynamic Controllers

The increased need for efficient ways to implement domain-specific accelerators is driving design methodologies towards the use of abstractions higher than the Register Transfer Level (RTL). In this scenario, High Level Synthesis (HLS) plays a significant role by enabling the automatic generation of custom hardware accelerators starting from high level descriptions (e.g., C code). Conventional HLS tools exploit parallelism mostly at the Instruction Level (ILP). They statically schedule the input specifications, and build centralized Finite State Machine (FSM) controllers. However, aggressive exploitation of ILP in many applications has diminishing returns and, usually, centralized approaches do not efficiently exploit coarser parallelism because FSMs are inherently serial. In this paper we present a HLS framework able to synthesize applications that, beside ILP, also expose Task Level Parallelism (TLP). An application can expose TLP through annotations that identify the parallel functions (i.e., tasks). To generate accelerators that efficiently execute concur- rent tasks, we need to solve several issues: devise a mechanism to support concurrent execution flows, exploit memory parallelism, and manage synchronization. To support concurrent execution flows, we introduce a novel adaptive controller. The adaptive controller is composed of a set of interacting control elements that independently manage the execution of a single operation or function call. These control elements check dependencies and resource constraints at runtime, enabling as soon as possible execution. To support parallel access to shared memories and synchronization, we introduce a novel Hierarchical Memory Interface (HMI). With respect to previous solutions, the proposed interface supports multi-ported memories and atomic memory operations, which commonly occur in parallel programming. Our framework can generate the hardware implementation of C functions by employing two different approaches, depending on its characteristics. If a function exposes TLP, then the framework generates hardware implementations based on the adaptive controller. Otherwise, the framework implements the function by exploiting a more conventional FSM approach, which is optimized for ILP exploitation. We evaluate our framework on a set of parallel applications, and show substantial performance improvements (average speedup of 4.7) with limited area over- heads (average area increase of 5.48 times).

Castellana, Vito G.↗

DOE OSTI2025

Chemical Interaction of Palladium in Uranium Oxycarbide Nuclear Fuel Kernel

Chemical Interaction of Palladium in Uranium Oxycarbide Nuclear Fuel Kernel Jana Howard1,3, Guang Yang3, Haiyan Zhao1*, Patrick Warren4, Tiankai Yao3, Steven Cavazos4 Elizabeth Sooby Wood4*, Ching-heng Shiau2 1 University of Idaho, Environmental Science, Idaho Falls, Idaho, USA 2 Boise State University, Microscopy and Characterization Suite, Idaho Falls, Idaho, USA 3 Idaho National Laboratory, Idaho Falls, Idaho, USA 4 University of Texas San Antonio, Department of Physics and Astronomy, San Antonio, Texas, USA *Corresponding author: haiyanz@uidaho.edu; elizabeth.soobywood@utsa.edu Tri-structural Isotropic (TRISO) particle fuel is the preferred choice for the newest and next-generation high-temperature nuclear reactors due to its robust construction [1]. The fuel design effectively contains fission products inside the particle at extremely high temperatures [2]. However, the effect of transition metal fission products on fuel performance and structural integrity remains largely unknown, creating uncertainties in predicting fuel performance and potential failure mechanisms [2]. For example, palladium (Pd) has a strong tendency to form intermetallic phases with uranium (U). These new phases tend to be hard and brittle which could lead to fracture of fuel kernel during irradiation [3,4]. Pd is not normally produced in high concentrations in normal fission reactions however, driving the production of Pd into the locality of a Uranium Oxycarbide (UCO) nuclear fuel provides an opportunity to closely observe the diffusion and chemical interactions. This study focuses on detailed transmission electron microscopy characterization of the intermetallic phases formed by the interaction between a UCO kernel and a Pd bar after annealing at 1100 °C for 100 hours. Figure 1 provides an overview of the UCO kernel in contact with the Pd bar. The UCO-Pd sample surface was examined using a Focused Ion Beam (FIB) Quanta 3D FEG FEI in VCD detector mode at 10kV, 83pA to reveal surface features. Several key surface features in the interaction region were observed including: (1) a small area with dendritic microstructure, (2) color contrast near the UCO kernel and Pd boundary, and (3) darker and lighter regions throughout the sample surface. To analyze diffusion behavior, FIB was used to prepare lamellae from five different areas of the UCO-Pd sample, as well as one for the as-received sample. These lamellae were examined using a Scanning Transmission Electron Microscope ThermoFisher Spectra 300 (STEM-Spectra). Energy Dispersive Spectroscopy results confirmed the diffusion between the UCO fuel and Pd bar. Figure 2 shows the identified phases of UC, UO2, and Pd dispersed throughout the interaction region. It was also found that the Pd concentration decreases as the radial distance from the UCO-Pd interface increases. The Pd concentration was 36.93% atomic fraction 11µm from the interaction region then decreased to 7.51% atomic fraction at 257 µm away from the interaction region. Figure 3 shows how concentrations of U and Pd vary across the interaction zone, highlighting the extent of diffusion. This study confirms that Pd interacts with surrounding material to form U-Pd phase and diffusion zones. These diffusion zones vary in composition depending on its radial distance from the point of contact with the Pd bar. These findings contribute to a deeper understanding of the fission product behavior in high temperature nuclear fuels, aiding in the prediction and mitigation of potential fuel degradation mechanisms. A B C Fig. 1. SEM micrographs of UCO fuel kernel in contact with solid Pd bar and the lift out locations. Figure 1A shows UCO fuel kernel in contact with solid Pd bar. Figure 1B shows a higher magnification image of the UCO fuel-Pd interaction zone. Figure 1C shows lift out sites for the lamellae. A B C Fig 2. EDS maps reveal the distribution of U, O, and Pd in location 3. Figure 2A shows the distribution of uranium. Figure 2B shows the distribution of oxygen. Figure 2C shows the distribution of palladium. A B C Fig 3. Palladium and uranium concentration across interaction zone in location 2. Figure 3A shows EDS map of lift out number 2. Figure 3B shows a zoomed in EDS map taken from the interaction zone. Figure 3C shows a line graph of uranium and palladium concentrations across the interaction zone. References: 1. B.E. Wells, N.R. Phillips, K.J. Geelhood. Pacific West Laboratory. (2021). TRISO Fuel: Properties and Failure Modes. https://www.nrc.gov/docs/ML2117/ML21175A152.pdf (Accessed January 16, 2025). 2. American Nuclear Society. TRISO Fuel Development Progresses in INL, ORNL. https://www.gen-4.org/gif/upload/docs/application/pdf/2014-03/nov13nn_fuel_reprint.pdf (Accessed January 16, 2025) 3. Clark R.A., M.A. Con

36 - MATERIALS SCIENCE↗

DOE OSTI2025

Chemical Interaction of Palladium in Uranium Oxycarbide Nuclear Fuel Kernel

Chemical Interaction of Palladium in Uranium Oxycarbide Nuclear Fuel Kernel Jana Howard1,3, Guang Yang3, Haiyan Zhao1*, Patrick Warren4, Tiankai Yao3, Steven Cavazos4 Elizabeth Sooby Wood4*, Ching-heng Shiau2 1 University of Idaho, Environmental Science, Idaho Falls, Idaho, USA 2 Boise State University, Microscopy and Characterization Suite, Idaho Falls, Idaho, USA 3 Idaho National Laboratory, Idaho Falls, Idaho, USA 4 University of Texas San Antonio, Department of Physics and Astronomy, San Antonio, Texas, USA *Corresponding author: haiyanz@uidaho.edu; elizabeth.soobywood@utsa.edu Tri-structural Isotropic (TRISO) particle fuel is the preferred choice for the newest and next-generation high-temperature nuclear reactors due to its robust construction [1]. The fuel design effectively contains fission products inside the particle at extremely high temperatures [2]. However, the effect of transition metal fission products on fuel performance and structural integrity remains largely unknown, creating uncertainties in predicting fuel performance and potential failure mechanisms [2]. For example, palladium (Pd) has a strong tendency to form intermetallic phases with uranium (U). These new phases tend to be hard and brittle which could lead to fracture of fuel kernel during irradiation [3,4]. Pd is not normally produced in high concentrations in normal fission reactions however, driving the production of Pd into the locality of a Uranium Oxycarbide (UCO) nuclear fuel provides an opportunity to closely observe the diffusion and chemical interactions. This study focuses on detailed transmission electron microscopy characterization of the intermetallic phases formed by the interaction between a UCO kernel and a Pd bar after annealing at 1100 °C for 100 hours. Figure 1 provides an overview of the UCO kernel in contact with the Pd bar. The UCO-Pd sample surface was examined using a Focused Ion Beam (FIB) Quanta 3D FEG FEI in VCD detector mode at 10kV, 83pA to reveal surface features. Several key surface features in the interaction region were observed including: (1) a small area with dendritic microstructure, (2) color contrast near the UCO kernel and Pd boundary, and (3) darker and lighter regions throughout the sample surface. To analyze diffusion behavior, FIB was used to prepare lamellae from five different areas of the UCO-Pd sample, as well as one for the as-received sample. These lamellae were examined using a Scanning Transmission Electron Microscope ThermoFisher Spectra 300 (STEM-Spectra). Energy Dispersive Spectroscopy results confirmed the diffusion between the UCO fuel and Pd bar. Figure 2 shows the identified phases of UC, UO2, and Pd dispersed throughout the interaction region. It was also found that the Pd concentration decreases as the radial distance from the UCO-Pd interface increases. The Pd concentration was 36.93% atomic fraction 11µm from the interaction region then decreased to 7.51% atomic fraction at 257 µm away from the interaction region. Figure 3 shows how concentrations of U and Pd vary across the interaction zone, highlighting the extent of diffusion. This study confirms that Pd interacts with surrounding material to form U-Pd phase and diffusion zones. These diffusion zones vary in composition depending on its radial distance from the point of contact with the Pd bar. These findings contribute to a deeper understanding of the fission product behavior in high temperature nuclear fuels, aiding in the prediction and mitigation of potential fuel degradation mechanisms. A B C Fig. 1. SEM micrographs of UCO fuel kernel in contact with solid Pd bar and the lift out locations. Figure 1A shows UCO fuel kernel in contact with solid Pd bar. Figure 1B shows a higher magnification image of the UCO fuel-Pd interaction zone. Figure 1C shows lift out sites for the lamellae. A B C Fig 2. EDS maps reveal the distribution of U, O, and Pd in location 3. Figure 2A shows the distribution of uranium. Figure 2B shows the distribution of oxygen. Figure 2C shows the distribution of palladium. A B C Fig 3. Palladium and uranium concentration across interaction zone in location 2. Figure 3A shows EDS map of lift out number 2. Figure 3B shows a zoomed in EDS map taken from the interaction zone. Figure 3C shows a line graph of uranium and palladium concentrations across the interaction zone. References: 1. B.E. Wells, N.R. Phillips, K.J. Geelhood. Pacific West Laboratory. (2021). TRISO Fuel: Properties and Failure Modes. https://www.nrc.gov/docs/ML2117/ML21175A152.pdf (Accessed January 16, 2025). 2. American Nuclear Society. TRISO Fuel Development Progresses in INL, ORNL. https://www.gen-4.org/gif/upload/docs/application/pdf/2014-03/nov13nn_fuel_reprint.pdf (Accessed January 16, 2025) 3. Clark R.A., M.A. Con

36 - MATERIALS SCIENCE↗

DOE OSTI2022

Atomic-Scale Insights into the Lateral and Vertical Epitaxial Growth in Two-Dimensional Pd 2 Se 3 –MoS 2 Heterostructures

Two-dimensional (2D) materials form heterostructures in both the lateral and vertical directions when two different materials are interfaced, but with totally different bonding mechanisms of covalent in-plane to van der Waal’s layered interactions. Understanding how the competition between lateral and vertical forces influences the epitaxial growth is important for future materials development of complex mixed layered heterostructures. In this study, we use atomic-resolution annular dark-field scanning transmission electron microscopy to study the detailed atomic arrangements at mixed 2D heterostructure interfaces composed of two semiconductors with distinctly different crystal symmetry and elemental composition, Pd 2 Se 3 :MoS 2 , in order to understand the role of different chemical bonds on the resultant epitaxy. Pd 2 Se 3 is grown off the step edge in bilayer MoS 2 , and the vertical and lateral epitaxial relationships of the Pd 2 Se 3 –MoS 2 heterostructures are investigated. We find that the similarity of geometry at the interface with one metal (Pd or Mo) atoms bonded with two chalcogens (S or Se) are the crucial factors to make the atomically stitched lateral junction of 2D heterostructures. In addition, the vertical van der Waal interactions that are normally dominant in layered materials can be overcome by in-plane forces if the interfacial atomic stitching is high in quality and low in defect density. This knowledge should help guide the approaches for improving the epitaxy in mixed 2D heterostructures and seamless stitching of in-plane 2D heterostructures with various complex monolayer structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Interference Provides Clarity: Direct Observation of 2D Materials at Fluid–Fluid Interfaces

Monolayer particles of two-dimensional (2D) materials represent a scientifically and technologically interesting class of anisotropic particles with colloidal-scale lateral sizes but sub-nanometer thicknesses. This atomic-scale thickness leads to interesting phenomena that can be exploited in next-generation thin-film technologies, and fluid-fluid interfaces provide a potentially scalable platform to confine, assemble, and deposit functional thin films of 2D materials. However, directly observing how these materials interact and assemble into a given film morphology is experimentally challenging because of their sub-nanometer thicknesses. Here, we demonstrate the ability to directly observe graphene, molybdenum disulfide (MoS2), and hexagonal boron nitride (h-BN) particles at fluid-fluid interfaces using interference reflection microscopy (IRM). Monolayer MoS2 and graphene particles demonstrated >10% optical contrast at an air-water interface, which allowed us to quantitatively analyze in situ images of self-assembled MoS2 particles and to map trajectories of interacting graphene particles. Additionally, the Brownian motion of a graphene particle was tracked and analyzed in the context of passive microrheology theory for 2D particle probes. Our results demonstrate how IRM can be used to obtain quantitative spatiotemporal information regarding the self-assembly and dynamics of 2D materials at fluid-fluid interfaces. It will have a significant impact on our ability to investigate systems of atomically thin particles at fluid-fluid interfaces, an area that has fundamental scientific importance and materials science applications but has suffered from a lack of direct, in situ observation techniques.

2D material↗

DOE OSTI2015

Impact of La{sub 2}O{sub 3} interfacial layers on InGaAs metal-oxide-semiconductor interface properties in Al{sub 2}O{sub 3}/La{sub 2}O{sub 3}/InGaAs gate stacks deposited by atomic-layer-deposition

We examine the electrical properties of atomic layer deposition (ALD) La{sub 2}O{sub 3}/InGaAs and Al{sub 2}O{sub 3}/La{sub 2}O{sub 3}/InGaAs metal-oxide-semiconductor (MOS) capacitors. It is found that the thick ALD La{sub 2}O{sub 3}/InGaAs interface provides low interface state density (D{sub it}) with the minimum value of ∼3 × 10{sup 11} cm{sup −2} eV{sup −1}, which is attributable to the excellent La{sub 2}O{sub 3} passivation effect for InGaAs surfaces. It is observed, on the other hand, that there are a large amount of slow traps and border traps in La{sub 2}O{sub 3}. In order to simultaneously satisfy low D{sub it} and small hysteresis, the effectiveness of Al{sub 2}O{sub 3}/La{sub 2}O{sub 3}/InGaAs gate stacks with ultrathin La{sub 2}O{sub 3} interfacial layers is in addition evaluated. The reduction of the La{sub 2}O{sub 3} thickness to 0.4 nm in Al{sub 2}O{sub 3}/La{sub 2}O{sub 3}/InGaAs gate stacks leads to the decrease in hysteresis. On the other hand, D{sub it} of the Al{sub 2}O{sub 3}/La{sub 2}O{sub 3}/InGaAs interfaces becomes higher than that of the La{sub 2}O{sub 3}/InGaAs ones, attributable to the diffusion of Al{sub 2}O{sub 3} through La{sub 2}O{sub 3} into InGaAs and resulting modification of the La{sub 2}O{sub 3}/InGaAs interface structure. As a result of the effective passivation effect of La{sub 2}O{sub 3} on InGaAs, however, the Al{sub 2}O{sub 3}/10 cycle (0.4 nm) La{sub 2}O{sub 3}/InGaAs gate stacks can realize still lower D{sub it} with maintaining small hysteresis and low leakage current than the conventional Al{sub 2}O{sub 3}/InGaAs MOS interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗