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At least 1,243 records · Page 69

Mars Aqueous Processing System

The goal of the Mars Aqueous Processing System (MAPS) is to establish a flexible process that generates multiple products that are useful for human habitation. Selectively extracting useful components into an aqueous solution, and then sequentially recovering individual constituents, can obtain a suite of refined or semi-refined products. Similarities in the bulk composition (although not necessarily of the mineralogy) of Martian and Lunar soils potentially make MAPS widely applicable. Similar process steps can be conducted on both Mars and Lunar soils while tailoring the reaction extents and recoveries to the specifics of each location. The MAPS closed-loop process selectively extracts, and then recovers, constituents from soils using acids and bases. The emphasis on Mars involves the production of useful materials such as iron, silica, alumina, magnesia, and concrete with recovery of oxygen as a byproduct. On the Moon, similar chemistry is applied with emphasis on oxygen production. This innovation has been demonstrated to produce high-grade materials, such as metallic iron, aluminum oxide, magnesium oxide, and calcium oxide, from lunar and Martian soil simulants. Most of the target products exhibited purities of 80 to 90 percent or more, allowing direct use for many potential applications. Up to one-fourth of the feed soil mass was converted to metal, metal oxide, and oxygen products. The soil residue contained elevated silica content, allowing for potential additional refining and extraction for recovery of materials needed for photovoltaic, semiconductor, and glass applications. A high-grade iron oxide concentrate derived from lunar soil simulant was used to produce a metallic iron component using a novel, combined hydrogen reduction/metal sintering technique. The part was subsequently machined and found to be structurally sound. The behavior of the lunar-simulant-derived iron product was very similar to that produced using the same methods on a Michigan iron ore concentrate, which demonstrates that lunar-derived material can be used in a manner similar to conventional terrestrial iron. Metallic iron was also produced from the Mars soil simulant. The aluminum and magnesium oxide products produced by MAPS from lunar and Mars soil simulants exhibited excellent thermal stability, and were shown to be capable of use for refractory oxide structural materials, or insulation at temperatures far in excess of what could be achieved using unrefined soils. These materials exhibited the refractory characteristics needed to support iron casting and forming operations, as well as other thermal processing needs. Extraction residue samples contained up to 79 percent silica. Such samples were successfully fused into a glass that exhibited high light transmittance.

Berggren, Mark↗

Bipolar transistor structure with collector on polycrystalline isolation layer and methods to form same

Embodiments of the disclosure provide a bipolar transistor structure with a collector on a polycrystalline isolation layer. A polycrystalline isolation layer may be on a substrate, and a collector layer may be on the polycrystalline isolation layer. The collector layer has a first doping type and includes a polycrystalline semiconductor. A base layer is on the collector layer and has a second doping type opposite the first doping type. An emitter layer is on the base layer and has the first doping type. A material composition of the doped collector region is different from a material composition of the base layer.

Holt, Judson R.↗

Defect Chemistry and Doping of Ultrawide Band Gap (III)BO 3 Compounds

New wide band gap semiconductors are needed to increase the power, voltage, and switching frequency limits of power electronic devices. A recent computational search identified a family of ultrawide band gap (4.8-7.8 eV) group-III orthoborates as promising materials for power electronics, assuming n-type doping could be attained. In this report we test this assumption by investigating the defect chemistry and dopability of rhombohedral calcite-structured AlBO 3 , GaBO 3 , and InBO 3 using first-principles calculations. Of the three, we find InBO 3 to have the most potential for n-type doping without significant compensation by native acceptor defects. Furthermore, Zr is predicted to readily substitute for In and behave as a shallow donor with maximal net donor concentrations exceeding 1 x 10 18 cm -3 under growth conditions typical for this class of materials. We also demonstrate thin film growth of InBO3 and measure its absorption onset, which we find to be consistent with theory. Ultimately, our results confirm the promise of InBO 3 as an n-type ultrawide band gap semiconductor and point to alloying with GaBO 3 and AlBO 3 for further optimization of band gap and electron concentration for high-power applications.

36 MATERIALS SCIENCE↗

Enhanced extreme ultraviolet high-harmonic generation from chromium-doped magnesium oxide

High-order harmonic generation (HHG) from crystals is emerging as a new ultrashort source of coherent extreme ultraviolet (XUV) light. Doping the crystal structure can offer a new way to control the source properties. Here, we present a study of HHG enhancement in the XUV spectral region from an ionic crystal, using dopant-induced vacancy defects, driven by a laser centered at a wavelength of 1.55 μm. Our numerical simulations based on solutions of the semiconductor Bloch equations and density-functional theory are supported by our experimental observations and demonstrate an increase in the XUV high harmonic yield from doped bulk magnesium oxide (MgO) compared to undoped MgO, even at a low defect concentration. The anisotropy of the harmonic emission as a function of the laser polarization shows that the pristine crystal's symmetry is preserved. Our study paves the way toward the control of HHG in solids with complex defects caused by transition-metal doping.

36 MATERIALS SCIENCE↗

Accelerating Quantum Materials Development with Advances in Transmission Electron Microscopy

Quantum materials are driving a technology revolution in sensing, communication, and computing, while simultaneously testing many core theories of the past century. Materials such as topological insulators, complex oxides, superconductors, quantum dots, color center-hosting semiconductors, and other types of strongly correlated materials can exhibit exotic properties such as edge conductivity, multiferroicity, magnetoresistance, superconductivity, single photon emission, and optical-spin locking. These emergent properties arise and depend strongly on the material’s detailed atomic-scale structure, including atomic defects, dopants, and lattice stacking. In this review, we describe how progress in the field of electron microscopy (EM), including in situ and in operando EM, can accelerate advances in quantum materials and quantum excitations. We begin by describing fundamental EM principles and operation modes. We then discuss various EM methods such as (i) EM spectroscopies, including electron energy loss spectroscopy (EELS), cathodoluminescence (CL), and electron energy gain spectroscopy (EEGS); (ii) four-dimensional scanning transmission electron microscopy (4D-STEM); (iii) dynamic and ultrafast EM (UEM); (iv) complementary ultrafast spectroscopies (UED, XFEL); and (v) atomic electron tomography (AET). We describe how these methods could inform structure–function relations in quantum materials down to the picometer scale and femtosecond time resolution, and how they enable precision positioning of atomic defects and high-resolution manipulation of quantum materials. For each method, we also describe existing limitations to solve open quantum mechanical questions, and how they might be addressed to accelerate progress. Among numerous notable results, our review highlights how EM is enabling identification of the 3D structure of quantum defects; measuring reversible and metastable dynamics of quantum excitations; mapping exciton states and single photon emission; measuring nanoscale thermal transport and coupled excitation dynamics; and measuring the internal electric field and charge density distribution of quantum heterointerfaces- all at the quantum materials’ intrinsic atomic and near atomic-length scale. Finally, we conclude by describing open challenges for the future, including achieving stable sample holders for ultralow temperature (below 10K) atomic-scale spatial resolution, stable spectrometers that enable meV energy resolution, and high-resolution, dynamic mapping of magnetic and spin fields. With atomic manipulation and ultrafast characterization enabled by EM, quantum materials will be poised to integrate into many of the sustainable and energy-efficient technologies needed for the 21st century.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Anisotropic Transient Disordering of Colloidal, Two-Dimensional CdSe Nanoplatelets upon Optical Excitation

Nanoplatelets (NPLs)-colloidally synthesized, spatially anisotropic, two-dimensional semiconductor quantum wells-are of intense interest owing to exceptionally narrow transition line widths, coupled with solution processability and bandgap tunability. However, given large surface areas and undercoordinated bonding at facet corners and edges, excitation under sufficient intensities may induce anisotropic structural instabilities that impact desired properties. We employ time-resolved X-ray diffraction to study the crystal structure of CdSe NPLs in response to optical excitation. Photoexcitation induces greater out-of-plane than in-plane disordering in 4 and 5 monolayer (ML) NPLs, while 3 ML NPLs display the opposite behavior. Recovery dynamics suggest that out-of-plane cooling slightly outpaces in-plane cooling in 5 ML NPLs with recrystallization occurring on indistinguishable time scales. In comparison, for zero-dimensional CdSe nanocrystals, disordering is isotropic and recovery is faster. These results favor the use of NPLs in optoelectronic applications, where they are likely to exhibit superior performance over traditional, zero-dimensional nanocrystals.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Polarization rotation in a ferroelectric BaTiO 3 film through low-energy He-implantation

Domain engineering in ferroelectric thin films is crucial for next-generation microelectronic and photonic technologies. Here, a method is demonstrated to precisely control domain configurations in BaTiO 3 thin films through low-energy He ion implantation. The approach transforms a mixed ferroelectric domain state with significant in-plane polarization into a uniform out-of-plane tetragonal phase by selectively modifying the strain state in the film’s top region. This structural transition significantly improves domain homogeneity and reduces polarization imprint, leading to symmetric ferroelectric switching characteristics. The demonstrated ability to manipulate ferroelectric domains post-growth enables tailored functional properties without compromising the coherently strained bottom interface. The method’s compatibility with semiconductor processing and ability to selectively modify specific regions make it particularly promising for practical implementation in integrated devices. This work establishes a versatile approach for strain-mediated domain engineering that could be extended to a wide range of ferroelectric systems, providing new opportunities for memory, sensing, and photonic applications where precise control of polarization states is essential.

36 MATERIALS SCIENCE↗

Revealing Possible Coherence Limiting Sources in Superconducting Qubit with Advanced Electron Microscopy

Superconducting materials hold great potential for solid-state quantum computing. Their fabrication relies on established semiconductor fabrication techniques, such as thin film deposition and lithography, but the complex processing steps can result in defects at the qubits' interfaces and surfaces that can negatively impact coherence time. To improve superconducting qubit performance, it is essential to understand the structural features, at the atomic scale, that may act as sources of decoherence limiting factor in both the Josephson junction (JJ) and resonators, which are key components of superconducting qubit. This talk will present our recent studies on the microstructures in a 2D-transmon, with an emphasis on the JJ. For this research, a combination of advanced microscopy techniques, including high-resolution (S)TEM imaging, and spectroscopy (EDS and EELS) are used to identify possible coherence-limiting defects or structural features.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Strained bilayer WSe 2 with reduced exciton-phonon coupling

We explore excitonic absorption and emission in bilayer WSe 2 under tensile strain. We observe a redshift of 110 meV in the energy of the A exciton absorption peak (at the direct gap at the K point in the Brillouin zone) under 2.1% uniaxial tensile strain. In addition, under the same strain, the spectral linewidth of the A exciton at room temperature decreases by a factor of 2, from 70 to 36 meV. We show that this decrease is a result of suppression of phonon-mediated exciton scattering channels. This suppression is associated with the relative upshift under strain of the Q valley in the conduction band (involved in the indirect exciton emission), which is nearly degenerate with the K valley (involved in the A exciton). We analyze the strain-dependent absorption and photoluminescence spectra to determine the relative positions of these valleys and to infer intervalley scattering rates. Our model describes well the decrease and the distinct trends in the A exciton linewidth of monolayer and bilayer WSe 2 under strain. The findings show that strain can be used to tune, as well as to probe, the relative energies of band extrema and exciton scattering channels in two-dimensional semiconductors.

36 MATERIALS SCIENCE↗

Properties of Electronic Materials

This final technical report summarizes the research conducted under DOE Grant DE-SC0002623, "Properties of Electronic Materials," led by Principal Investigator Shengbai Zhang at Rensselaer Polytechnic Institute. Over the 16-year period, the project employed first-principles computational methods to investigate the structural, electronic, and dynamic properties of a wide range of electronic materials, with applications in energy technologies, optoelectronics, and data storage. Key areas included topological insulators, phase-change materials, graphene and two-dimensional systems, perovskites for photovoltaics, defect engineering in semiconductors, kagome lattices, and ultrafast carrier dynamics. The research resulted in 115 peer-reviewed publications, advancing fundamental understanding of material behaviors at the atomic scale and contributing to innovations in renewable energy, memory devices, and quantum materials. Findings have implications for improving energy efficiency, developing lead-free solar cells, and enabling high-speed data processing. The work has trained numerous graduate students and postdocs, fostering the next generation of computational materials scientists. The original goals were to develop theoretical models and computational tools to predict and optimize electronic properties of materials for energy applications. All objectives were accomplished, with no major departures from planned methodologies. Challenges in computational scaling were addressed through access to high-performance computing resources.

36 MATERIALS SCIENCE↗

Polarization rotation in a ferroelectric BaTiO$_3$ film through low-energy He-implantation

Domain engineering in ferroelectric thin films is crucial for next-generation microelectronic and photonic technologies. Here, a method is demonstrated to precisely control domain configurations in BaTiO$_3$ thin films through low-energy He ion implantation. The approach transforms a mixed ferroelectric domain state with significant in-plane polarization into a uniform out-of-plane tetragonal phase by selectively modifying the strain state in the film's top region. This structural transition significantly improves domain homogeneity and reduces polarization imprint, leading to symmetric ferroelectric switching characteristics. The demonstrated ability to manipulate ferroelectric domains post-growth enables tailored functional properties without compromising the coherently strained bottom interface. The method's compatibility with semiconductor processing and ability to selectively modify specific regions make it particularly promising for practical implementation in integrated devices. This work establishes a versatile approach for strain-mediated domain engineering that could be extended to a wide range of ferroelectric systems, providing new opportunities for memory, sensing, and photonic applications where precise control of polarization states is essential.

Luo, Liang [Ames Laboratory (AMES), Ames, IA (Unit↗

Coherent Spins in van der Waals Semiconductor GeS 2 at Ambient Conditions

Optically active spin defects in van der Waals (vdW) materials have emerged as versatile quantum sensors, enabling applications for a wide range of quantum phenomena in condensed matter systems. Their ease of exfoliation and compatibility with device integration make them promising candidates for future quantum technologies. Here we report the observation and room-temperature coherent control of ensemble spin defects in the high-temperature crystalline phase of germanium disulfide (β-GeS 2 ), a two-dimensional (2D) semiconductor with low nuclear spin density. The defects exhibit spin-1/2 behavior, and their dynamics can be explained by a weakly coupled spin-pair model. We implement dynamical decoupling techniques to extend the coherence time (T 2 ) by a factor of 20. Finally, we use density functional theory (DFT) calculations to estimate the structures and spin densities of two possible spin defect candidates. This work will help to expand the field of quantum sensing with spin defects in 2D materials.

2D materials↗

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↗

Shear-aligned large-area organic semiconductor crystals through extended π–π interaction

Small molecule-based organic semiconductors are of broad interest in organic field-effect transistors (OFETs) due to their potential for high crystallinity and electrical performance. The 2D molecule, TIPS-peri-pentacenopentacene (TIPS-PPP), which is the vertical extension of the 1D TIPS-pentacene (TIPS-PEN) molecule, offers a lower bandgap, higher aromaticity, and an enhanced π–π interaction with neighboring molecules in the solid state when compared to TIPS-PEN. However, an in-depth understanding of the relationship between the molecule structure, solid-state molecular packing, and the electronic properties has not been reported due to poor control over the TIPS-PPP crystallite size. In this work, we successfully engineered highly oriented large-area TIPS-PPP crystals through the solution shear coating technique. Additionally, compared with narrow ribbon-like TIPS-PEN crystals, TIPS-PPP crystals can grow centimeters long and over 500 μm wide. TIPS-PPP molecules are less susceptible to forming metastable polymorphs than TIPS-PEN molecules upon fast evaporation. The crystal structure of TIPS-PPP is also thermally stable at 250 °C. Notably, the anisotropic charge carrier mobility of TIPS-PPP crystals is resolved through fabricating bottom-gate top-contact devices, with a hole mobility of 3.1 cm 2 V -1 s -1 along the preferred packing direction. Further device optimization using top-gate bottom-contact devices improved the mobility up to 6.5 cm 2 V -1 s -1 , which is among the highest for pentacene-derivative-based organic semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Review of radiation-induced defects in GaAs

Radiation-resilient optoelectronic materials are highly desired in space and nuclear applications, and understanding the relevant defects and electronic processes in those materials is crucial for both current and next-generation applications. GaAs is a prototypical semiconductor that serves as a foundational system for describing and understanding optoelectronic devices. In this review, both experimental studies and molecular dynamics (MD) simulations of irradiated GaAs are reviewed, with particular emphasis on the deep-level transient spectroscopy, irradiation-induced amorphization zones, and MD predictions of damage structures. The MD results are also compared to predictions of the non-ionized energy-loss model. Recent theoretical studies, in particular, density functional theory based calculations on the simple intrinsic defects and defect clusters in GaAs, are also reviewed. These defects have an important role in dictating the evolution of GaAs in radiation damage environments, as they impact the coupled dynamics of charge carriers. Finally, possible gaps and challenges toward the general understanding of defect evolution in GaAs are discussed.

36 MATERIALS SCIENCE↗

Novel self-assembled two-dimensional layered oxide structure incorporated with Au nanoinclusions towards multifunctionalities

Two-dimensional (2D) layered oxides have recently attracted wide attention owing to the strong coupling among charges, spins, lattice, and strain, which allows great flexibility and opportunities in structure designs as well as multifunctionality exploration. In parallel, plasmonic hybrid nanostructures exhibit exotic localized surface plasmon resonance (LSPR) providing a broad range of applications in nanophotonic devices and sensors. A hybrid material platform combining the unique multifunctional 2D layered oxides and plasmonic nanostructures brings optical tuning into the new level. Here, a novel self-assembled Bi 2 MoO 6 (BMO) 2D layered oxide incorporated with plasmonic Au nanoinclusions has been demonstrated via one-step pulsed laser deposition (PLD) technique. Comprehensive microstructural characterizations, including scanning transmission electron microscopy (STEM), differential phase contrast imaging (DPC), and STEM tomography, have demonstrated the high epitaxial quality and particle-in-matrix morphology of the BMO-Au nanocomposite film. DPC-STEM imaging clarifies the magnetic domain structures of BMO matrix. Three different BMO structures including layered supercell (LSC) and superlattices have been revealed which is attributed to the variable strain states throughout the BMO-Au film. Owing to the combination of plasmonic Au and layered structure of BMO, the nanocomposite film exhibits a typical LSPR in visible wavelength region and strong anisotropy in terms of its optical and ferromagnetic properties. This study opens a new avenue for developing novel 2D layered complex oxides incorporated with plasmonic metal or semiconductor phases showing great potential for applications in multifunctional nanoelectronics devices.

36 MATERIALS SCIENCE↗

Engineering the formation of spin-defects from first principles

The full realization of spin qubits for quantum technologies relies on the ability to control and design the formation processes of spin defects in semiconductors and insulators. We present a computational protocol to investigate the synthesis of point-defects at the atomistic level, and we apply it to the study of a promising spin-qubit in silicon carbide, the divacancy (VV). Our strategy combines electronic structure calculations based on density functional theory and enhanced sampling techniques coupled with first principles molecular dynamics. We predict the optimal annealing temperatures for the formation of VVs at high temperature and show how to engineer the Fermi level of the material to optimize the defect’s yield for several polytypes of silicon carbide. Our results are in excellent agreement with available experimental data and provide novel atomistic insights into point defect formation and annihilation processes as a function of temperature.

36 MATERIALS SCIENCE↗