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At least 55 records · Page 3

Bandgap Engineering of Ga 2 O 3 by MOCVD Through Alloying with Indium

Ga 2 O 3 and In 2 O 3 are vital semiconductors with current and future electronic device applications. Here, we study the alloying of In 2 O 3 and Ga 2 O 3 (IGO) and the associated changes in structure, morphology, band gap, and electrical transport properties. Undoped films of IGO were deposited on sapphire substrates with varying indium (In) percentage from zero to 100% by metal-organic chemical vapor deposition (MOCVD). Some films were annealed in H 2 to induce electrical conductivity. The measurements showed the optical band gap decreased by adding In; this was confirmed by density functional (DFT) calculations, which revealed that the nature of the valence band maximum and conduction band minimum strongly relate to the chemistry and that the band gap drops by adding In. The as-grown films were highly resistive except for pure In 2 O 3 , which possesses p-type conductivity, likely arising from In vacancy-related acceptor states. N-type conductivity was induced in all films after H-anneal. DFT calculations revealed that the presence of In decreases the electron effective mass, which is consistent with the electrical transport measurements that showed higher electron mobility for higher In percentage. The work revealed the successful band gap engineering of IGO and the modification of its band structure while maintaining high-quality films by MOCVD.

36 MATERIALS SCIENCE↗

Tailoring physical properties of crystals through synthetic temperature control: A case study for new polymorphic NbFeT e 2 phases

Growth parameters play a significant role in the crystal quality and physical properties of layered materials. Here we present a case study on a van der Waals magnetic NbFeTe 2 material. Two different types of polymorphic NbFeTe 2 phases, synthesized at different temperatures, display significantly different behaviors in crystal symmetry, electronic structure, electrical transport, and magnetism. While the phase synthesized at low temperature showing behavior consistent with previous reports, the new phase synthesized at high temperature, has completely different physical properties, such as metallic resistivity, long-range ferromagnetic order, anomalous Hall effect, negative magnetoresistance, and distinct electronic structures. Neutron diffraction reveals out-of-plane ferromagnetism below 70 K, consistent with the electrical transport and magnetic susceptibility studies. Finally, our work suggests that simply tuning synthetic parameters in a controlled manner could be an effective route to alter the physical properties of existing materials potentially unlocking new states of matter, or even discovering new materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Physical properties investigation of tetragonal Ba T 2 P 2 (T = Ru, Pd)

The structural, thermal, electrical transport, and magnetic properties of ternary compounds BaT 2 P 2 (T = Ru, Pd) are reported together with electronic structure calculations. Our results show that BaRu 2 P 2 crystallises in the layered tetragonal ThCr 2 Si 2 -type structure (space group I4/mmm) whereas BaPd 2 P 2 adopts the primitive tetragonal CeMg 2 Si 2 -type structure (space group P4/mmm). The combined experimental results and electronic structure calculations suggest metallic and diamagnetic ground states for both materials. Electrical transport measurements further indicate non-Fermi liquid behaviour at low temperatures. Notably, BaRu 2 P 2 exhibits an anomalous feature in the magnetic susceptibility at T ~ 260 K, similar to that observed in BaRu 2 As 2 . A comparison between the bare density of states obtained from electronic structure calculations and the experimentally estimated values suggests the presence of strong correlation effects in the material. Furthermore, the heat capacity of BaPd 2 P 2 , calculated using the full phonon dispersion relation, is in good agreement with the experimental data, particularly at low temperatures, highlighting the significant contribution of optical phonon branches to C P in this temperature range.

flat bands↗

Continuously tunable uniaxial strain control of van der Waals heterostructure devices

Uniaxial strain has been widely used as a powerful tool for investigating and controlling the properties of quantum materials. However, existing strain techniques have so far mostly been limited to use with bulk crystals. Although recent progress has been made in extending the application of strain to two-dimensional van der Waals (vdW) heterostructures, these techniques have been limited to optical characterization and extremely simple electrical device geometries. Here, we report a piezoelectric-based in situ uniaxial strain technique enabling simultaneous electrical transport and optical spectroscopy characterization of dual-gated vdW heterostructure devices. Critically, our technique remains compatible with vdW heterostructure devices of arbitrary complexity fabricated on conventional silicon/silicon dioxide wafer substrates. We demonstrate a large and continuously tunable strain of up to –0.15% at millikelvin temperatures, with larger strain values also likely achievable. We quantify the strain transmission from the silicon wafer to the vdW heterostructure, and further demonstrate the ability of strain to modify the electronic properties of twisted bilayer graphene. Our technique provides a highly versatile new method for exploring the effect of uniaxial strain on both the electrical and optical properties of vdW heterostructures and can be easily extended to include additional characterization techniques.

Electrical properties and parameters↗

Electronic structure of the honeycomb iridate Cu 2 ⁢IrO 3 at high pressure

Cu 2 IrO 3 has attracted recent interest due to its proximity to the Kitaev quantum spin liquid state and the complex structural response observed at high pressures. We use x-ray spectroscopy and scattering as well as electrical transport techniques to unveil the electronic structure of Cu 2 IrO 3 at ambient and high pressures. Despite featuring a Ir 4+ J eff = 1/2 state at ambient pressure, Ir L 3 -edge resonant inelastic x-ray scattering reveals broadened electronic excitations that point to the importance of Ir 5d-Cu 3d interaction. High pressure first drives an Ir-Ir dimer state with collapsed < L · S > and < L z >/< S z >, signaling the formation of 5d molecular orbitals. A novel Cu → Ir charge transfer is observed above 30 GPa at low temperatures, leading to an approximate Ir 3+ and Cu 1.5+ valence, with persistent insulating electrical transport seemingly driven by charge segregation of Cu 1+ /Cu 2+ ions into distinct sites. Concomitant x-ray spectroscopy and diffraction measurements through different thermodynamic paths demonstrate a strong electron-lattice coupling, with J eff = 1/2 and Ir 3+ /Cu 1.5+ electronic states occurring only in phases 1 and 5, respectively. Remarkably, the charge-transfer state can only be reached if Cu 2 IrO 3 is pressurized at low temperature, suggesting that phonons play an important role in the inhibiting this phase. Furthermore, these results point to the choice of thermodynamic path across interplanar collapse transition as a key parameter to access novel states in intercalated iridates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Strategic Energy Plan: City of Key West, Florida

This Strategic Energy Plan for the city of Key West, Florida—developed through the U.S. Department of Energy’s Energy Technology Innovation Partnership Project (ETIPP)—outlines a comprehensive strategy to advance the city’s energy vision: to improve energy efficiency and independence using local energy resources to foster long-term resilience. To guide this effort, the plan is structured around four focus areas: • Energy efficiency: Reduce overall energy consumption and utility costs across municipal, residential, and commercial buildings. • Local energy generation: Increase the share of energy produced from local sources to enhance energy independence. • Resilience: Strengthen critical infrastructure and community preparedness for flooding, hurricanes, and other natural weather hazards. • Electric transportation: Support the addition of new electric vehicles (EVs) and develop reliable charging infrastructure to reduce reliance on imported fuels. ETIPP provides strategic energy planning, technical assistance, and direct funding to U.S. coastal, remote, and island communities to improve energy resilience. Key West was part of ETIPP’s fourth cohort. As a low-lying island community vulnerable to infrastructure damage due to natural weather hazards, Key West seeks to reduce its dependence on external energy and build long-term sustainability. The Strategic Energy Plan identifies specific challenges, sets clear goals, and proposes actionable opportunities with implementation timelines and key stakeholders. A baseline assessment reveals significant energy consumption in both city-owned and residential/commercial buildings, limited local energy generation, and an early-stage EV market with vulnerable charging infrastructure. The proposed solutions emphasize a multifaceted approach, leveraging both established and innovative technologies, while addressing financial, technical, and community engagement challenges. The baseline assessment provided a snapshot of current energy conditions in Key West, evidencing key challenges and opportunities across the city’s energy priorities. Building on the baseline assessment and extensive input from city staff, local stakeholders, and community partners, a set of targeted opportunities was identified to address Key West’s energy goals. Each was evaluated in terms of its potential benefits, key implementation steps, associated challenges and mitigation strategies, and the city departments and stakeholders best positioned to lead or support progress.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Solar electric propulsion for Mars transport vehicles

Solar electric propulsion (SEP) is an alternative to chemical and nuclear powered propulsion systems for both piloted and unpiloted Mars transport vehicles. Photovoltaic solar cell and array technologies were evaluated as components of SEP power systems. Of the systems considered, the SEP power system composed of multijunction solar cells in an ENTECH domed fresnel concentrator array had the least array mass and area. Trip times to Mars optimized for minimum propellant mass were calculated. Additionally, a preliminary vehicle concept was designed.

Solar electric propulsion↗

Evidence for In-Plane Electrical Polarization in 3R-β’-In 2 Se 3 Thin Films Grown by Molecular Beam Epitaxy

β-In 2 Se 3 has been identified as a potential ferroelectric. This work describes the growth of β-In 2 Se 3 via molecular beam epitaxy along with a description of its properties, including the search for switchable polarization in 3R-β’-In2Se3. The thin-film morphology, crystal structure, and phase maps of β-In 2 Se 3 on Si(111) and Al 2 O 3 (0001) were evaluated by atomic force microscopy, X-ray diffraction, and Raman spectroscopy as a function of the atomic Se/In flux ratio and growth temperature. Smooth β-In 2 Se 3 thin films were successfully realized on Si(111) at a substrate temperature of 150 °C using a Se/In flux ratio of 5.7, as well as on Al 2 O 3 (0001) at 450 °C using a Se/In flux ratio of 5.5. Scanning transmission electron microscopy (STEM) confirms the 3R polytype of β-In 2 Se 3 in films on both substrates, with a minor disorder associated with the 2H polytype at the interface. Indications of in-plane Se atom displacements characteristic of the 3R-β’-In 2 Se 3 polytype were found by STEM and second harmonic generation analysis in films on Al 2 O 3 (0001), but not in films on Si(111). Furthermore, attempts at electrical polarization switching did not produce compelling evidence for ferroelectricity. Instead, electrical transport measurements demonstrated locally varying anisotropic responses with the applied electric fields along different in-plane directions, with some hysteresis associated with the trapping of charges.

36 MATERIALS SCIENCE↗

NASA Electric Aircraft Testbed Single-Aisle Transport Air Vehicle Hybrid Electric Tail-Cone Thruster Powertrain Configuration and Test Results

A key technical challenge is to establish a viable concept for a MW-class hybrid gas-electric propulsion system for a commercial transport aircraft. This includes developing aircraft propulsion system conceptual designs, integrating sub-systems, high efficiency/power density electric machines, flight-weight power system and electronics, and enabling materials in high voltage insulation, high frequency soft magnetics, and conductors. The primary benefit of this research is to diversify the current turbofan propulsion options to include hybrid electric propulsion elements that reduce energy usage, emissions, and noise.

Dyson, Rodger↗

Experimental Characterization and Modeling of High Hole Mobility GeSn Quantum Wells: The Role of Alloy Disorder Scattering

Understanding mechanisms influencing electrical transport in material systems not only provides a scientific explanation for observed behavior but also offers insight into ways to enhance transport in devices. This study reports experimental hole mobility of 8 x 10 4 cm 2 V -1 s -1 in a Ge 0.92 Sn 0.08 , the highest recorded mobility for the GeSn system. A study of the material's quality is presented using structural and electrical characterization techniques, with transport data being supported by simulations using an extensive modeling framework. Quantum Hall measurements further indicate the material's high quality and potential spintronic applications, with extracted values of 0.0689$m$ 0 and 13.6 for the effective mass and effective g‐factor, respectively. It is observed that transport is limited by alloy disorder scattering at cryogenic temperatures. A comparative study between the presented structure and similar quantum well heterostructures revealed that the difference in hole mobilities is captured by a disparity in the reduced nominal alloy disorder scattering potential (Δ U alloy = 0.8 eV), that is lower than the value of a fully random alloy (Δ U alloy = 1.4–1.7 eV) potential. The difference in Δ U alloy suggests that heterostructures with similar geometries and alloy compositions can have different alloy disorder scattering, implying that an underlying mechanism, such as short‐range order, may be responsible and warrants further investigation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

A computational study of the effects of graphene additions on electrical properties of polycrystalline copper

The addition of graphene has recently shown promise as a route for the significant improvement of the bulk electrical properties of metallic materials. Here, we explore the effects these additions have on the net electrical conductivity of fabricated copper-graphene (Cu-Gr) nanocomposites as a function of grain structure and grain boundary properties. Synthetic 3D microstructures were generated to represent polycrystalline copper with different average grain diameters and twinned grain boundary fractions. Then, the Poisson equation of electrical transport was solved using a finite difference method in order to predict the net electrical conductivity of each microstructure. In this context, the potential effect of graphene on the conductivity of the composite was evaluated as a function of the number of affected grain boundaries. The results of these calculations indicate that 1.) as supported by literature, net electrical conductivity decreases with decreasing grain size, 2.) the presence of twinned grain boundaries results in smaller loss of conductivity than would otherwise be expected, and 3.) the presence of graphene on the grain boundaries can be expected to lead to improvements in net electrical conductivity. However, we also find that 4.) when the Cu grain structure becomes sufficiently refined, the addition of graphene could conceivably result in significant improvements in electrical conductivity over and above coarse-grained Cu. It is estimated from our calculations that, assuming microstructures with average grain sizes between 100 nm and 100 μm and graphene conductivity 1000 to 10,000 that of a typical Cu grain boundary, an improvement in electrical conductivity of approximately 17% over that of bulk Cu may be attainable. Therefore, by performing this study we suggest a possible route for the improvement of Cu electrical properties through the addition of graphene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Magnetic polaron formation in EuZn2P2

Colossal magnetoresistance (CMR) has been observed across many Eu2+-based materials; however, its origin is not completely understood. Here we investigate the antiferromagnetic insulator EuZn2⁢P2 through single crystal x-ray diffraction, transmission electron microscopy, electrical transport, magnetization, dilatometry, and electron spin resonance measurements complemented by density functional theory calculations. Our electrical resistivity data reveal a large negative magnetoresistance, MR=[𝑅⁡(𝐻)−𝑅⁡(0)]/𝑅⁡(0), that reaches MR=−99.7% at 9 T near the antiferromagnetic ordering temperature 𝑇𝑁=23K. Dilatometry measurements show an accompanying field-induced lattice strain. Additionally, Eu2+ electron spin resonance reveals a strong ferromagnetic exchange interaction between Eu2+ and conduction electrons. Our experimental results in EuZn2⁢P2 are consistent with a magnetic polaron scenario and suggest magnetic polaron formation as a prevailing explanation of CMR in Eu2+-based compounds.

Cook, Matt [ORNL] (ORCID:0000000288777505)↗

Application of a reversible chemical reaction system to solar thermal power plants

Three distributed dish solar thermal power systems using various applications of SO2/SO3 chemical energy storage and transport technology were comparatively assessed. Each system features various roles for the chemical system: (1) energy storage only, (2) energy transport, or (3) energy transport and storage. These three systems were also compared with the dish-Stirling, using electrical transport and battery storage, and the central receiver Rankine system, with thermal storage, to determine the relative merit of plants employing a thermochemical system. As an assessment criterion, the busbar energy costs were compared. Separate but comparable solar energy cost computer codes were used for distributed receiver and central receiver systems. Calculations were performed for capacity factors ranging from 0.4 to 0.8. The results indicate that SO2/SO3 technology has the potential to be more cost effective in transporting the collected energy than in storing the energy for the storage capacity range studied (2-15 hours)

Hanseth, E. J.↗

Effect of temperature-dependent electrical conductivity on transport processes in magnetosolidmechanics

The effect of temperature-dependent electrical conductivity on transport processes for a solid block is analyzed on the basis of a one-dimensional steady-state model under specified thermal boundary conditions. Assumptions are that the solid has an infinitely segmented electrode configuration, the magnetic field (By) may be resolved into a constant applied field and an induced field, the gradient of the electrochemical potential is equal to the electrostatic potential, a constant potential difference is applied externally across each pair of opposite electrodes, and all material properties except electrical conductivity are constant. Conductivity is expressed in normalized form in terms of a baseline conductivity and a constant for the material. The application of the assumptions of the model to the general phenomenological relations yields the governing equations. Solution of these equations gives the distribution of temperature, electric current density, and magnetic field strength along the length of the solid. It is shown that significant differences exist between the case for constant electrical conductivity and the case where electrical conductivity is temperature dependent.

Craig, G. T.↗

A new direction in energy conversion - The all-electric aircraft

This paper reviews recent studies of all-electric aircraft that use electric-only secondary power and flight critical fly-by-wire flight controls, and brings to the attention of the power system designer the intrinsic advantages of such aircraft. The all-electric aircraft is made possible by the development of rare earth magnet materials and fault tolerant systems technologies. Recent studies have shown all-electric aircraft to be more efficient than conventional designs and offer substantial operating costs reductions. Compared to present aircraft, an all-electric transport can save at least 10 percent in fuel burn. The cornerstone of an all-electric aircraft is the electric secondary power system. This paper reviews the major features of flight critical electric secondary power systems. Research required to lay the foundation for an all-electric aircraft is briefly discussed.

Spitzer, C. R.↗

Boride-based Ceramic Super-high Temperature Thermocouples in Harsh Environments (Final Scientific/Technical Report)

An electromotive force (emf) can be generated along a temperature gradient between the cold end and hot end of a thermoelectric material, termed the Seebeck effect. Based on the Seebeck effect, metallic alloys have been extensively employed to detect temperatures for centuries, named thermocouples. However, commercially available thermocouple alloys suffer from limitations, such as oxidation, chemical degradation, and poor long-term stability under high-temperature harsh environments. This DOE-funded project aimed to develop high-temperature, chemically tolerant thermocouples suitable for operation in extreme environments relevant to semiconducting thermoelectric materials. The research focused on boride-based semiconducting thermoelectric compounds as candidates for next-generation thermocouples with enhanced oxidation resistance, chemical stability, and thermal robustness under conditions representative of charcoal-fired electricity facilities. During the funded years, boride materials were synthesized using an arc-plasma technique under ambient air and argon atmospheres, enabling scalable and cost-effective production compared with conventional boride fabrication methods. The synthesized borides were processed into nanostructured powders, followed by consolidation into dense bulk materials using a spark plasma sintering (SPS) bottom-up approach. Comprehensive characterization was performed, including microstructural analysis, electrical transport measurements, and optical and thermal property evaluation. Both p-type and n-type boride electric legs were fabricated and integrated into boride-based thermocouples. The thermal and irradiation stabilities of the boride nanomaterials and bulk thermoelectric materials were systematically evaluated to assess suitability for long-term operation in harsh environments. Additionally, 12 students were broadly hands-on trained spanning the full research workflow, including word processing and technical editing (e.g., LATEX for manuscript and poster preparation), data collection and analysis (using Python and related libraries and hardware interfaces), sample preparation (including arc-plasma synthesis and spark plasma sintering), and advanced characterization techniques (such as X-ray diffraction, UV–vis spectroscopy, electron microscopy, differential thermal analysis (DTA), and Seebeck coefficient measurements, etc). Overall, this project demonstrated the feasibility of boride-based thermoelectric materials as durable high-temperature thermocouples, providing a promising pathway toward robust temperature sensing technologies aligned with DOE energy infrastructure and extreme-environment monitoring needs.

20 FOSSIL-FUELED POWER PLANTS↗

Quantum oscillations and transport properties of layered single-crystal SrCu 4 ⁢As 2

Here, we report a systematic investigation of the physical properties and Fermi-surface topology of layered single-crystal SrCu 4⁢ As 2 using electrical transport, magnetotransport, and quantum-oscillation experiments plus band-structure calculations. The temperature-dependent electrical resistivity reveals a hysteretic phase transition at 𝑇 𝑃 =59 K, most likely associated with a structural change. Hall resistivity data suggest a marked change in the average hole density resulting from the latter phase transition near 𝑇 𝑃 . A large, linear, and nonsaturating magnetoresistance is observed at low temperatures in SrCu 4 ⁢As 2 , likely attributable to the multipocket Fermi surface. Quantum-oscillation data measured in magnetic fields of up to 60 T show several oscillation frequencies exhibiting low effective masses, indicating the presence of Dirac-like band dispersion in SrCu 4 ⁢As 2 , as suggested by the band structure calculations.

36 MATERIALS SCIENCE↗

Interfacial charge transfer and its impact on transport properties of LaNiO 3 /LaFeO 3 superlattices

Charge transfer or redistribution at oxide heterointerfaces is a critical phenomenon, often leading to remarkable properties such as two-dimensional electron gas and interfacial ferromagnetism. Despite studies on LaNiO 3 /LaFeO 3 superlattices and heterostructures, the direction and magnitude of the charge transfer remain debated, with some suggesting no charge transfer due to the high stability of Fe 3+ (3d 5 ). Here, we synthesized a series of epitaxial LaNiO 3 /LaFeO 3 superlattices and demonstrated partial (up to ~0.5 e - /interface unit cell) charge transfer from Fe to Ni near the interface, supported by density functional theory simulations and spectroscopic evidence of changes in Ni and Fe oxidation states. The electron transfer from LaFeO 3 to LaNiO 3 and the subsequent rearrangement of the Fe 3d band create an unexpected metallic ground state within the LaFeO 3 layer, strongly influencing the in-plane transport properties across the superlattice. Moreover, we establish a direct correlation between interfacial charge transfer and in-plane electrical transport properties, providing insights for designing functional oxide heterostructures with emerging properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗