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At least 487 records · Page 27

Disorder, interactions, and their interplay in novel narrow-gap Dirac materials and Weyl semimetals

Progress of the modern day condensed matter physics is to a large extent driven by the synthesis of new materials, advances in their experimental characterization and theoretical description. Recent discoveries of novel gapless Weyl semimetals, such as NaBi,CdAs, and BiTe-based films, in which magnetic dopants essentially suppress the gap, have added to the family of graphene and topological insulators actively investigated over the past decade. With the field of novel semimetals rapidly maturing, its focus necessarily shifts from demonstrations of the feasibility of such materials to their quantitative characterization. While the transport and optical properties of graphene and topological insulators are well captured within the picture of free non-interacting electrons, gapless 3D Weyl semimetals and narrow-gap 2D semiconductors with Dirac spectrum are known to be extremely susceptible to disorder and electron-electron interactions. This susceptibility obscures the manifestations of nontrivial band structure -- like quantum anomalous Hall effect -- of the new topological materials. Among particular projects to be addressed are: 1) optical conductivity of 3D gapless Dirac fermions in the presence of smooth disorder, 2) interplay of disorder and Coulomb interactions in the spectral properties of such fermions, 3) formation and structure of the impurity band with Coulomb supercritical clusters, 4) Coulomb interaction-driven renormalization of the electron spectrum and of the transport response in the presence of strong magnetic field, 5) instanton approach to the disorder-induced fluctuation states in zero-gap 3D materials, and 6) the role of disorder in quantum anomalous Hall effect. The proposal relies upon the investigators' previous broad expertise in interacting and disordered electron systems. The methods to be employed include perturbative diagrammatic technique, non-perturbative instanton and self-consistent approximations, hydrodynamics of electron liquid. Both analytical as well as numerical approaches are to be employed. The anticipated broader outcome of the proposal includes gaining an in-depth understanding of the interplay of the disorder and interactions under the conditions when this interplay has the most dramatic impact on observables. Traditionally, interaction effects are among the most challenging and interesting problems of condensed matter physics. Similarly, disordered systems typically present very difficult but extremely rich problems in the description of various materials. Importantly, understanding the spectral and transport properties of such materials not only presents the fundamental objective, but is also of particular interest for many applications, such as computation, memory, optics, plasmonics. In particular realization of the quantum anomalous Hall effect may lead to the development of low-power-consumption electronics. Indeed, a major constraint for practical use of the quantum Hall effect is limited by the requirement of the quantizing magnetic field. At the same time, the quantum anomalous Hall effect samples exhibit non-dissipative edge quantum transport in a zero magnetic field.

36 MATERIALS SCIENCE↗

Synthesis and Crystal and Electronic Structures of the Zintl Phase Sr21Cd4Sb18

Reported herein are the synthesis and crystal chemistry analysis of the Zintl phase Sr21Cd4Sb18. Single crystals of this compound were grown using the Sn-flux method, and structural characterization was carried out using single-crystal X-ray diffraction. Crystal data: Monoclinic space group C2/m (No. 12, Z = 4); a = 18.2536(6) Å, b = 17.4018(5) Å, and c = 17.8979(6) Å, β = 92.024(1)°. The structure is based on edge- and corner-shared CdSb4 tetrahedra, which ultimately form octameric [Cd8Sb22] fragments, where two symmetry-equivalent subunits are connected via a homoatomic Sb–Sb interaction. The electronic band structure calculations contained herein reveal the emergence of a direct gap between the valence and the conduction bands.

Ghosh, Kowsik (ORCID:0000000326227046)↗

Flash Graphene from Plastic Waste

In this work, an approach to upcycling plastic waste (PW) products is presented. The method relies on flash Joule heating (FJH) to convert PW into flash graphene (FG). In addition to FG, the process results in the formation of carbon oligomers, hydrogen, and light hydrocarbons. In order to make high quality graphene, a sequential alternating current (AC) and direct current (DC) flash is used. Here, the FJH process requires no catalyst and works for PW mixtures, which makes the process suitable for handling landfill PW. The energy required to convert PW to FG is ~ 23 kJ/g or ~ $125 in electricity per ton of PW, potentially making this process economically attractive for scale-up. The FG was characterized by Raman spectroscopy and had a I 2D /I G peak ratio up to 6 with a low-intensity D band. Moreover, transmission electron microscopy and X-ray diffraction analysis show that the FG is turbostratic with an interlayer spacing of 3.45 Å. The large interlayer spacing will facilitate its dispersion in liquids and composites. Analysis of FG dispersions in 1% Pluronic aqueous solution shows that concentrations up to 1.2 mg/mL can be achieved. The carbon oligomers that distilled from the process were characterized by Fourier-transform infrared spectroscopy and have chemical structures similar to the starting PW. Initial analysis of gas phase products shows the formation of considerable amounts of hydrogen along with other light hydrocarbons. Since graphene is naturally occurring and it shows a low toxicity profile, this could be an environmentally beneficial method to upcycle PE.

54 ENVIRONMENTAL SCIENCES↗

Lanczos eigensolution method for high-performance computers

The theory, computational analysis, and applications are presented of a Lanczos algorithm on high performance computers. The computationally intensive steps of the algorithm are identified as: the matrix factorization, the forward/backward equation solution, and the matrix vector multiples. These computational steps are optimized to exploit the vector and parallel capabilities of high performance computers. The savings in computational time from applying optimization techniques such as: variable band and sparse data storage and access, loop unrolling, use of local memory, and compiler directives are presented. Two large scale structural analysis applications are described: the buckling of a composite blade stiffened panel with a cutout, and the vibration analysis of a high speed civil transport. The sequential computational time for the panel problem executed on a CONVEX computer of 181.6 seconds was decreased to 14.1 seconds with the optimized vector algorithm. The best computational time of 23 seconds for the transport problem with 17,000 degs of freedom was on the the Cray-YMP using an average of 3.63 processors.

Bostic, Susan W.↗

Electromagnetic wave absorption of multifunctional cementitious composites incorporating polyvinyl alcohol (PVA) fibers and fly ash: Effects of microstructure and hydration

Highlights: • The cementitious composite shows excellent wide-band electromagnetic wave absorption in a frequency range of 2–18 GHz. • The PVA fibers and the fly ash change the dielectric properties of the cementitious composite by Debye polarization. • The iron oxide of the cementitious binders contributes to the magnetic properties of the composites. • The impacts of the microstructure and the hydration of the cementitious composite on its microwave absorption are analyzed. This paper devises a novel method for the adjustment of the pore structure and the hydration of cement to improve the electromagnetic wave absorption of the cementitious composites incorporating polyvinyl alcohol (PVA) fibers and fly ash in a frequency range of 2–18 GHz. The underlying mechanism of the absorption is investigated to explore the possibility of the structural and functional integration of these composites. The electromagnetic parameters of the prepared cementitious composites and those of the raw materials are analyzed in a frequency range of 0.5–18 GHz. Moreover, the pore structure and the chemical environment of the cementitious composites are examined by mercury intrusion porosimetry (MIP), back-scattered electron detector (BSE), and X-ray photoelectron spectroscopy (XPS). The results indicate that the PVA fibers and the high-volume fly ash have a positive effect on electromagnetic wave absorption of the cementitious composites through the adjustment of their pore structure and hydration.

36 MATERIALS SCIENCE↗

The Deep Eutectic Solvent Precipitation Synthesis of Metastable Zn 4 V 2 O 9

A precipitation method involving a deep eutectic solvent (DES)–a mixture of hydrogen bond donor and acceptor–is used to synthesize a ternary metal oxide. Without toxic reagents, precipitates consisting of Zn 3 (OH) 2 V 2 O 7 ·nH 2 O and Zn 5 (OH) 6 (CO 3 ) 2 are obtained by simply introducing deionized H 2 O to the DES solution containing dissolved ZnO and V 2 O 5 . Manipulation of the synthetic conditions demonstrates high tunability in the size/morphology of the two-dimensional nanosheets precipitated during the dynamic equilibrium process. According to differential scanning calorimetry and high-temperature powder X-ray diffraction, Zn 3 V 2 O 8 and ZnO obtained by the annealing of the precipitate are intermediates in the reaction pathway toward metastable Zn 4 V 2 O 9 . Intimate mixing of the metal precursors achieved by the precipitation method allows access to the metastable zinc-rich vanadate with unusually rapid heat treatment. Furthermore, the UV–vis and surface photovoltage spectra reveal the presence of sub-band gap states, stemming from the reduced vanadium (V 4+ ) center. Photoelectrochemical measurements confirm weak photoanodic currents for water and methanol oxidation. For the first time, this work shows the synthesis of a metastable oxide with the DES-precipitation route and provides insight into the structure–property relationship of the zinc-rich vanadate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Giant room-temperature nonlinearities in a monolayer Janus topological semiconductor

Abstract Nonlinear optical materials possess wide applications, ranging from terahertz and mid-infrared detection to energy harvesting. Recently, the correlations between nonlinear optical responses and certain topological properties, such as the Berry curvature and the quantum metric tensor, have attracted considerable interest. Here, we report giant room-temperature nonlinearities in non-centrosymmetric two-dimensional topological materials—the Janus transition metal dichalcogenides in the 1 T’ phase, synthesized by an advanced atomic-layer substitution method. High harmonic generation, terahertz emission spectroscopy, and second harmonic generation measurements consistently show orders-of-the-magnitude enhancement in terahertz-frequency nonlinearities in 1 T’ MoSSe (e.g., > 50 times higher than 2 H MoS 2 for 18 th order harmonic generation; > 20 times higher than 2 H MoS 2 for terahertz emission). We link this giant nonlinear optical response to topological band mixing and strong inversion symmetry breaking due to the Janus structure. Our work defines general protocols for designing materials with large nonlinearities and heralds the applications of topological materials in optoelectronics down to the monolayer limit.

42 ENGINEERING↗

The non-centrosymmetric layered compounds IrTe 2 I and RhTe 2 I

The previously unreported layered compounds IrTe 2 I and RhTe 2 I were prepared by a high-pressure synthesis method. Single crystal X-ray and powder X-ray diffraction studies find that the compounds are isostructural, crystallizing in a layered orthorhombic structure in the non-centrosymmetric, non-symmorphic space group Pca2 1 (#29). Characterization reveals diamagnetic, high resistivity, semiconducting behavior for both compounds, consistent with the +3 chemical valence and d 6 electronic configurations for both iridium and rhodium and the Te–Te dimers seen in the structural study. Finally, electronic band structures are calculated for both compounds, showing good agreement with the experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A fresh perspective on the role of band bending, and related contributors, in light-driven production of electricity and chemicals

It is widely known that semiconductor-based solar energy conversion could power our planet. This is in part because high-quality semiconductor structures are unrivalled in their ability to separate photogenerated electrons and holes. One effective approach to achieving this photoinduced charge separation relies on a phenomenon known as “band bending”. But details to justify why band bending results in photoinduced charge separation are more complex than often appreciated. This underappreciation is an impediment to the rational, hypothesis-driven design of next-generation approaches to solar energy conversion. Herein we show, by means of derivations rooted in physical chemistry, that several phenomena – not just band bending – can facilitate photoinduced charge separation, and that each is influenced by nonequilibrium species concentration and a parameter, such as diffusion coefficient or rate coefficient, that introduces dynamics. To help visualize the impact of each phenomenon, we introduce plots that depict their contributions as free energy, force, flux, force constant, and rate. We reveal that spatial dopant distributions that define band bending are predictors of initial photogenerated species transport rates. But charge separation alone does not guarantee high-efficiency operation. A photogenerated change in energy that is freely available to do useful work is also essential, and is strongly dependent on semiconductor optical properties and reaction kinetics. Notably, this information reveals that specificity of interfacial chemical reactions – even when they are not preceded by charge separation elsewhere – can result in efficient solar energy conversion. We expect that this tutorial will guide researchers in their pursuit to uncover new mechanisms for light to perform useful work.

14 SOLAR ENERGY↗

Evaluation of Landscape Structure Using AVIRIS Quicklooks and Ancillary Data

Currently the best tool for examining landscape structure is remote sensing, because remotely sensed data provide complete and repeatable coverage over landscapes in many climatic regimes. Many sensors, with a variety of spatial scales and temporal repeat cycles, are available. The Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) has imaged over 4000 scenes from over 100 different sites throughout North America. For each of these scenes, one-band "quicklook" images have been produced for review by AVIRIS investigators. These quicklooks are free, publicly available over the Internet, and provide the most complete set of landscape structure data yet produced. This paper describes the methodologies used to evaluate the landscape structure of quicklooks and generate corresponding datasets for climate, topography and land use. A brief discussion of preliminary results is included at the end. Since quicklooks correspond exactly to their parent AVIRIS scenes, the methods used to derive climate, topography and land use data should be applicable to any AVIRIS analysis.

Sanderson, Eric W.↗

NASA Tech Briefs, July 2004

Topics: Optoelectronic Sensor System for Guidance in Docking; Hybrid Piezoelectric/Fiber-Optic Sensor Sheets; Multisensor Arrays for Greater Reliability and Accuracy; Integrated-Optic Oxygen Sensors; Ka-Band Autonomous Formation Flying Sensor; CMOS VLSI Active-Pixel Sensor for Tracking; Lightweight, Self-Deploying Foam Antenna Structures; Electrically Small Microstrip Quarter-Wave Monopole Antennas; A 2-to-28-MHz Phase-Locked Loop; Portable Electromyograph; Open-Source Software for Modeling of Nanoelectronic Devices; Software for Generating Strip Maps from SAR Data; Calibration Software for use with Jurassicprok; Software for Probabilistic Risk Reduction; Software Processes SAR Motion-Measurement Data; Improved Method of Purifying Carbon Nanotubes; Patterned Growth of Carbon Nanotubes or Nanofibers; Lightweight, Rack-Mountable Composite Cold Plate/Shelves; SiC-Based Miniature High-Temperature Cantilever Anemometer; Inlet Housing for a Partial-Admission Turbine; Lightweight Thermoformed Structural Components and Optics; Growing High-Quality InAs Quantum Dots for Infrared Lasers; Selected Papers on Protoplanetary Disks; Module for Oxygenating Water without Generating Bubbles; Coastal Research Imaging Spectrometer; Rapid Switching and Modulation by use of Coupled VCSELs; Laser-Induced-Fluorescence Photogrammetry and Videogrammetry; Laboratory Apparatus Generates Dual-Species Cold Atomic Beam; Laser Ablation of Materials for Propulsion of Spacecraft; Small Active Radiation Monitor; Hybrid Image-Plane/Stereo Manipulation; Partitioning a Gridded Rectangle into Smaller Rectangles; Digital Radar-Signal Processors Implemented in FPGAs; Part 1 of a Computational Study of a Drop-Laden Mixing Layer; and Some Improvements in Signal-Conditioning Circuits.

Source record↗

Artemis I Prelaunch Flight Readiness Analysis

The Prelaunch loads analysis traditionally captures the vehicle and Mobile Launcher (ML) loads associated with stacking in the Vehicle Assembly Building (VAB), rollout to the pad, and high-speed winds while out on the pad prior to liftoff. The following paper details the methodology used in this analysis for loads for the Artemis Flight Readiness assessment. This paper focuses on the stacking and assembly loads, the loads induced by fueling, and the load seen during rollout to the pad. Methods for integrating multiple structural models in dynamic simulations using interface forces, constraint modes, and residual vectors is discussed. Both linear and nonlinear responses are addressed. Simulation results are compared to measured data from the Dynamic Rollout Test (DRT) and Wet Dress Rehearsal (WDR).

SLS↗

Forest investigations by polarimetric AIRSAR data in the Harz mountains

The Harz Mountains in the North of Germany have been a study site for several remote sensing investigations since 1985, as the mountainous area is one of the forest regions in Germany heavily affected by forest decline, especially in the high altitudes above 800 m. In a research program at the University of Berlin, methods are developed for improving remote sensing assessment of forest structure and forest state by additional GIS information, using several datasets for establishing a forest information system. The Harz has been defined as a test site for the SIR-C/X-SAR mission which is going to deliver multifrequency and multipolarizational SAR data from orbit. In a pilot project let by DLR-DFD, these data are to be investigated for forestry and ecology purposes. In preparing a flight campaign to the SIR-C / X-SAR mission, 'MAC EUROPE 1991', performed by NASA/JPL, an area of about 12 km in the Northern Harz was covered with multipolarizational AIRSAR data in the C-, L- and P-band, including the Brocken, the highest mountain of the Harz, with an altitude of 1142 m. The multiparameter AIRSAR data are investigated for their information content on the forest state, regarding the following questions: (1) information on forest stand parameters like forest types, age classes and crown density, especially for the separation of deciduous and coniferous forest; (2) information on the storm damages (since 1972) and the status of regeneration; (3) information on the status of forest destruction because of forest decline; and (4) influence of topography, local incidence angle and soil moisture on the SAR data. Within the project various methods and tools have been developed for the investigation of multipolarimetric radar backscatter responses and for discrimination purposes, in order to use the multipolarization information of the compressed Stokes matrix delivered by JPL.

Keil, M.↗

Construction of MoS 2 /NiS 2 heterostructure with fast interfacial reaction kinetics for ultrafast sodium storage

Constructing heterostructure is a valid method to reinforcing sodium storage performance of transition metal chalcogenides materials. Herein, a simple, safe and controllable one step hydrothermal method is proposed to synthesize MoS 2 /NiS 2 heterostructure. Due to the difference in band gaps and work functions of MoS 2 and NiS 2 , the charges are redistributed at the MoS 2 /NiS 2 heterointerfaces, thereby accelerating the migration of electrons and Na + . The heterointerfaces provide extra active sites for storing Na + , thus increasing the sodium storage capacity of the heterostructure. Furthermore, the distinct redox potentials of NiS 2 and MoS 2 promote the structural stability of MoS 2 /NiS 2 heterostructure during the electrochemical reaction processes. Consequently, the obtained MoS 2 /NiS 2 heterostructure exhibits superior rate properties (339.4 mAh g –1 at 10 A g –1 ) and ultra-stable cycling stability (480.5 mAh g –1 after 350 cycles at 1 A g –1 ). Finally, this paper presents a valid strategy for creating heterostructure anodes with excellent sodium storage properties.

25 ENERGY STORAGE↗

Doped NiO: The mottness of a charge transfer insulator

The evolution of the electronic structures of strongly correlated insulators with doping has long been a central fundamental question in condensed matter physics; it is also of great practical relevance for applications. We have studied the evolution of NiO under hole and electron doping at low doping levels such that the system remains insulating using high-quality thin film and a wide range of experimental and theoretical methods. The evolution is in both cases very smooth with dopant concentration. The band gap is asymmetric under electron and hole doping, consistent with a charge-transfer insulator picture, and is reduced faster under hole doping than under electron doping. For both electron and hole doping, occupied states are introduced at the top of the valence band. The formation of deep donor levels under electron doping and the inability to pin otherwise empty states near the conduction-band edge are indicative that local electron addition and removal energies are dominated by a Mott-like Hubbard U interaction even though the global band gap is predominantly a charge-transfer-type gap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Tunable Semiconducting Behavior and Linear-Nonlinear Optical Properties of Ag–Sn Dual-Doped Nanocrystalline CdO Thin Films for Optoelectronics

Semiconductor-based thin films have a great impact on determining the anticipated optoelectronic device construction and the advancement of cutting-edge applications. Herein, Ag and Sn dual-doped nanocrystalline transparent conducting CdO thin films were prepared on glass substrates using a cost-effective spray coating method, and their structural, morphological, optical, and semiconducting behaviors were investigated. The successful incorporation of Ag and Sn resulted in the polycrystalline nature of the deposited films without the additional peaks, as verified by X-ray diffraction (XRD) analysis. The XRD report also revealed the enhanced crystallinity (65%) at the higher doping level (3 wt % Ag and Sn-doped CdO film). All the deposited CdO films exhibited homogeneous, spherical, or round-shaped grains, with agglomeration revealed by scanning electron microscopy analysis. UV–visible spectroscopy was utilized to determine the linear and nonlinear optical properties of the deposited CdO thin films, and a reduction in the band gap from 3.891 to 3.772 eV was observed. A significant enhancement in the first- and third-order nonlinear susceptibility and nonlinear refractive index of the doped CdO films was also observed with increasing doping concentration. Hall effect data were collected at room temperature to investigate the electrical properties of all of the CdO films. The charge carrier concentration of CdO thin films was increased from 142.08 × 10 18 to 169.10 × 10 18 cm –3 , and the highest conductivity was found to be 192 s/cm on doping 3 wt % Ag–Sn. All the CdO thin films exhibited n-type conductivity, while an incredible n-type to p-type charge carrier transition was noticed at a higher doping level (3 wt % Ag–Sn). The findings of the current work are expected to advance the synthesis of semiconductor thin films through cost-effective spray coating methods for optoelectronic device applications.

deposition↗

A physical parameter method for the design of broad-band X-ray imaging systems to do coronal plasma diagnostics

The technique commonly used for the analysis of data from broad-band X-ray imaging systems for plasma diagnostics is the filter ratio method. This requires the use of two or more broad-band filters to derive temperatures and line-of-sight emission integrals or emission measure distributions as a function of temperature. Here an alternative analytical approach is proposed in which the temperature response of the imaging system is matched to the physical parameter being investigated. The temperature response of a system designed to measure the total radiated power along the line of sight of any coronal structure is calculated. Other examples are discussed.

Kahler, S.↗

Energetics of the nucleation and glide of disconnection modes in symmetric tilt grain boundaries

Grain boundaries (GBs) evolve by the nucleation and glide of disconnections, which are dislocations with a step character. In this work, motivated by recent success in predicting GB properties such as the shear coupling factor and mobility from the intrinsic properties of disconnections, we develop a systematic method to calculate the energy barriers for the nucleation and glide of individual disconnection modes under arbitrary driving forces and a quasi-2D setting. This method combines tools from bicrystallography to enumerate disconnection modes and the Nudged elastic band (NEB) method to calculate their energetics, yielding minimum energy paths and atomistic mechanisms for the nucleation and glide of each disconnection mode. We apply the method to accurately predict shear coupling factors of $[001]$ symmetric tilt grain boundaries in Cu. Particular attention is paid to the boundaries where the dislocation-based disconnection nucleation model produces incorrect nucleation barriers. We demonstrate that the method can accurately compute energy barriers and predict shear-coupling factors in the low-temperature regime. For certain disconnection modes in which the assumptions underlying our method do not hold, we report upper bounds on the energy barriers for disconnection nucleation and glide. In addition, the NEB trajectories reveal interesting phenomena such as the dissociation of a higher energy mode into lower energy modes, and in some cases, shear coupling being mediated by partial disconnections, wherein the GB structure temporarily changes to a metastable state before reverting back to its original structure. Graphical abstract

36 MATERIALS SCIENCE↗