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410 records · Page 10

Kondo effect in ferromagnetic quantum critical CeRh 6 ⁢Ge 4

The mechanism of a pressure-induced quantum critical point in the heavy fermion ferromagnet CeRh 6 ⁢Ge 4 has attracted interest, as ferromagnetic quantum criticality in a clean itinerant Ce compound is typically avoided. The localized versus itinerant character of the 4⁢𝑓 electrons is a key aspect for understanding this behavior. We investigated the electronic structure of the 4⁢𝑓 shell in CeRh 6 ⁢Ge 4 using core-level photoelectron and x-ray absorption spectroscopy, demonstrating the hybridization of Ce 4⁢𝑓 with the conduction electrons. Linearly polarized x-ray absorption reveals a temperature-dependent linear dichroism consistent with the crystal-electric-field sequence as inferred from the static susceptibility. This dichroism cannot be described by an ionic full-multiplet model alone, but is reproduced by including the Kondo effect within a single-impurity Anderson model in the noncrossing approximation. The Kondo effect mixes higher-lying crystal-field states into a resulting multiorbital ground state with 4⁢𝑓 occupancy, 𝑛 𝑓 ∼ 0.9. Deviations at low temperatures between the measured linear dichroism and calculated dichroism suggest an orbital-dependent Kondo effect. A scenario in which there is a multiorbital ground state and orbital-dependent Kondo hybridization should be a starting point for a model of pressure-induced criticality in CeRh 6 ⁢Ge 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND

In situ electric field X-ray total scattering reveals composition-dependent electromechanical strain mechanisms in (1 − x )BiFe 2/8 Ti 3/8 Mg 3/8 O 3 – x PbTiO 3 ceramics

Ferroelectric materials find many applications in energy and aerospace industries. A major challenge for ferroelectric materials is maintaining their properties at elevated temperatures. The (1 − x )BiFe 2/8 Ti 3/8 Mg 3/8 O 3 – x PbTiO 3 (BFTM–xPT) ferroelectric solid solution is a promising candidate for high-temperature applications as it has a high piezoelectric response while also maintaining its ferroelectric phase until a high Curie temperature (T C ) of 650 °C. In this work, we investigate the piezoelectric mechanism in BFTM–xPT, a novel high-T C ferroelectric ceramic. To elucidate the origin of its enhanced piezoelectric performance, relative to other piezoceramics of similar T C , in situ electric field X-ray total scattering experiments were performed. Total scattering combines Bragg scattering (diffraction) and diffuse scattering (pair distribution function), providing insight on various length scales. With information spanning different length scales, extrinsic contributions (i.e., domain wall motion and interphase boundary motion) can be separated from intrinsic contributions (i.e., piezoelectric lattice strain). We show that, for compositions within the morphotropic phase boundary (MPB, x = 0.325), the piezoelectric response is dominated by intrinsic piezoelectric lattice strain, whereas outside the MPB (x = 0.375) the major component of the piezoelectric response is from extrinsic mechanisms including an electric-field-induced phase transition and tetragonal domain wall motion. This article reveals that the origin of piezoelectric response in BFTM–xPT is composition-dependent and shows that high-performance materials may also be located outside the MPB. These findings can help guide material design to optimize properties for specific applications.

Richtik, Brooke N. [University of Calgary, AB (Can

Manipulating Na/TM Ratio‐Driven Structural Heterogeneity of O3‐NaNi 1/3 Fe 1/3 Mn 1/3 O 2 Cathode for High‐Voltage Sodium‐Ion Batteries

The stability of O3-type NaNi 1/3 Fe 1/3 Mn 1/3 O 2 under high-voltage cycling is dictated by how synthesis encodes lattice strain and redox heterogeneity. Here, in this study, the role of Na:TM stoichiometry is systematically resolved by tuning the NaOH:precursor ratio during solid-state synthesis. The stoichiometric condition (Na:TM = 1.00) yields minimized microstrain, enabling uniform O3–P3 phase evolution and homogeneous multi-metal redox with preserved octahedral symmetry. In contrast, Na-excess compositions inherit disordered intermediates and heterogeneous distortion fields that trigger abrupt multiphase transitions and promote localized charge redistribution. In situ XRD captures the divergence in phase-transition pathways, TXM resolves particle-level redox heterogeneity, and XANES corroborates a stronger and more reversible Fe redox contribution at stoichiometry, shifting to diminished Fe participation and spatially inhomogeneous redox at higher Na content. These results establish Na:TM stoichiometry as a critical synthesis parameter controlling both structural coherence and redox stability. Electrochemically, the stoichiometric composition exhibits smooth voltage profiles with minimal polarization growth and retains nearly 80% of its initial capacity after 100 cycles even at an extended 4.2 V cutoff, whereas Na-excess compositions show significantly reduced initial coulombic efficiency and rapid voltage fade. Precise stoichiometric tuning provides a scalable route to defect-suppressed O3 frameworks, enabling structurally resilient, high-voltage sodium-layered cathodes.

36 MATERIALS SCIENCE

The active CGCG 077-102 NED02 galaxy within the Abell 2063 galaxy cluster

Context.Within the framework of investigating the link between the central super massive black holes in the cores of galaxies and the galaxies themselves, we detected a variable X-ray source in the center of CGCG 077-102 NED02, which is a member of the CGCG 077-102 galaxy pair within the Abell 2063 cluster of galaxies. Aims.Our goal is to combine X-ray and optical data to demonstrate that this object harbors an active super massive black hole in its core, and to relate this to the dynamical status of the galaxy pair within the Abell 2063 cluster. Methods.We usedChandraandXMM-Newtonarchival data to derive the X-ray spectral shape and variability. We also obtained optical spectroscopy to detect the expected emission lines that are typically found in active galactic nuclei. Finally, we used public ZTF imaging data to investigate the optical variability. Results.There is no evidence of multiple X-ray sources or extended components within CGCG 077-102 NED02. Single X-ray spectral models fit the source well. We detect significant, nonrandom inter-observation 0.5–10 keV X-ray flux variabilities, for observations separated by ∼4 days for short-term variations and by up to ∼700 days for long-term variations. Optical spectroscopy points toward a passive galaxy for CGCG 077-102 NED01 and a Seyfert for CGCG 077-102 NED02. The classification of CGCG 077-102 NED02 is also consistent with its X-ray luminosity of over 10 42 erg s −1 . We do not detect short-term variability in the optical ZTF light curves. However, we find a significant long-term stochastic variability in theg-band that can be well described by the damped random walk model with a best-fit characteristic damping timescale ofτ DRW = 30 −12 +28 days. Finally, the CGCG 077-102 galaxy pair is deeply embedded within the Abell 2063 potential, with a long enough history within this massive structure to have been affected by the influence of this cluster for a long time. Conclusions.Our observations point toward a moderately massive black hole in the center of CGCG 077-102 NED02 of ∼10 6 M ⊙ . As compared to another similar pair in the literature, CGCG 077-102 NED02 is not heavily obscured, perhaps because of the surrounding intracluster medium ram-pressure stripping.

Astronomy & Astrophysics

Generalizable Web User Interface for Scalable and Streamlined Deployment of Building Energy Management Systems in Small and Medium-Sized Commercial Buildings

Small and medium-sized commercial buildings (SMCBs) comprise 94% of US commercial buildings yet face significant barriers to implementing building energy management systems despite advances in smart device technology. Existing solutions present critical limitations: cloud-based API solutions simplify deployment but create vendor lock-in constraints; commercial integrated software solutions ensure compatibility via standardized protocols but require substantial cost and technical expertise; open-source IoT platforms offer cost-effective vendor independence but provide insufficient standardized protocol support for commercial building automation. This research presents a generalizable web user interface framework that bridges the gap between evolving smart device capabilities and lagging software infrastructure for SMCBs. The proposed system integrates VOLTTRON open-source middleware with an automated configuration converter that transforms unified specifications written in YAML, a human-readable data-serialization format, into system-specific files, streamlining manual setup processes. The vendor-agnostic architecture supports industry-standard protocols (BACnet and Modbus) and semantic building models while providing adaptive web interfaces that dynamically adjust to various building configurations. Demonstrations through simulation-based testing and a field deployment show automatic interface adaptation across heterogeneous HVAC systems and multizone monitoring. The automated configuration converter also substantially reduces labor-intensive setup.

Chung, Jihoon [ORNL] (ORCID:0000000184880815)

The Intrinsic Sizes of Odd Radio Circles

Abstract A new class of sources, the so-called odd radio circles (ORCs), have been discovered by recent sensitive, large-area radio continuum surveys. The distances of these sources have so far relied on photometric redshifts of optical galaxies found at the centers of or near ORCs. Here we present Gemini rest-frame optical spectroscopy of six galaxies at the centers of, or potentially associated with, the first five ORC discoveries. We supplement this with Legacy Survey imaging and Prospector fits to theirgriz+W1/W2 photometry. Of the three ORCs with central galaxies, all lie at distances (z= 0.27–0.55) that confirm the large intrinsic diameters of the radio circles (300–500 kpc). The central galaxies are massive (M * ∼ 10 11 M ☉ ), red, unobscured ellipticals with old (≳1 Gyr) stellar populations. They have LINER spectral types that are shock-powered or active galactic nucleus (AGN)-powered. All three host low-luminosity, radio-quiet AGN. The similarity of their central galaxies is consistent with a common origin, perhaps as a blast wave from an ancient starburst. The other two ORCs are adjacent and have no prominent central galaxies. However, thez= 0.25 disk galaxy that lies between them hosts a Type 2, moderate-luminosity AGN. They may instead be the lobes of a radio jet from this AGN.

Astronomy & Astrophysics

Carbon Tetrachloride Degradation Results for 200-ZP-1 Operable Unit

Carbon tetrachloride (CT) contamination in the 200-ZP-1 Operable Unit (OU) at the Hanford Site originated from large-volume discharges to the subsurface during plutonium production operations between 1955 and 1973. Contamination migrated through more than 70 meters of unsaturated sediment to reach the underlying unconfined aquifer, where it persists as a large and complex groundwater plume. The 200-ZP-1 OU Record of Decision (ROD) requires that groundwater CT concentrations be reduced to 3.4 µg/L within 125 years. Current groundwater modeling projections estimate that the existing pump-and-treat, even when combined with monitored natural attenuation (specifically hydrolysis), will not achieve this target within the designated timeframe. A fundamental contributor to this shortfall is the extremely slow rate of CT hydrolysis under Hanford aquifer conditions, which has been estimated to have a half-life of 630 years. If faster-acting biotic and abiotic degradation processes are operating within the aquifer, their contribution to CT mass reduction could have a meaningful impact. However, site-specific measurements of these processes and their rates have not previously been performed. This report documents the results of a two-phase laboratory investigation designed to characterize and quantify the capacity of site-specific 200-ZP-1 OU sediments and groundwater to support natural attenuation of CT through biotic and abiotic pathways. In this context, degradation capacity is defined as the intrinsic potential of the subsurface matrix to transform CT under optimized, controlled conditions. System capacity is evaluated in two ways: (1) as rate-limited capacity, which establishes the maximum kinetic velocity of CT transformation and is measured using half-lives and first order rate constants; and (2) as mass limited capacity, which defines the total contaminant mass the batch experimental system can degrade before reactants are exhausted, representing the maximum amount of contaminant the microbial community and reactive mineral phases can transform under the experimental conditions.

abiotic degradation

Study of wrap mode impact on Pseudomonas aeruginosa motion in the chemotactic field of fungi

An agent-based discrete computational model biologically calibrated to Pseudomonas aeruginosa migration is used to explore the impacts of bacterial reversals and wrap mode on the efficiency of motion in different environments, both with and without chemotaxis. It is first shown that wrap mode increases the exploration of continuous multimodal chemotactic profiles such as those produced by biologically relevant fungal networks. For cells undergoing a run-reverse pattern, it is shown that the bacteria are likely to remain at the first local chemoattractant maximal production site on a hypha they find. However, with wrap mode, the bacteria can more easily escape these local sites to further explore their neighboring environment along the fungi, suggesting that wrap mode may be beneficial for migration along the fungi in liquid. In a different set of simulations of bacterial motion close to an isolated chemotactic source, wrap mode is shown to increase the ability of a bacterium to reorient toward the source while reducing the overall motion required for similar chemotactic efficiency as a run-reverse strategy, suggesting a potential metabolic benefit. In contrast, model simulations show that wrap mode can increase the rate of dispersal of P. aeruginosa in a nonchemotactic environment.

Hansen, Austin [University of California, Riversid

Insights into mixing of non-isothermal multi-polymer melts for complex plastics recycling

Catalytic recycling or upcycling of plastics is often limited not by catalyst performance, but by transport, arising from highly viscous, non-Newtonian polymer melts. In this work, we develop a reactor-scale framework that integrates rheological measurements, constitutive modeling, computational fluid dynamics (CFD), and experiments to quantify mixing, heat transfer, and dispersion in surrogate hydrocarbon melts representing mixed plastics systems. Temperature- and shear rate-dependent viscosity of low-density polyethylene (LDPE) and high-density polyethylene (HDPE) is measured to create two surrogate polymers (PLD and PHD) that capture the dominant shear-thinning flow behavior while neglecting strong elastic effects, enabling tractable simulation of non-isothermal, polymer-melt mixing using a Carreau-Arrhenius generalized Newtonian framework. Three-dimensional CFD simulations are employed to evaluate impeller performance in PLD using mixing time, cavern volume, thermal uniformity, and interfacial area for regimes in which viscoelastic effects are not dominant. We show that magnetic stir bars commonly used in lab-scale studies produce large thermal gradients (~60 °C) and poor mixing, even under idealized power delivery and polymer flow conditions. In contrast, close-clearance anchor impellers achieve near-isothermal operation, reduce mixing times by up to 5×, and provide >90% active circulation volume. We further demonstrate that, at low pseudo-Deborah number (De*), motor power requirements can be predicted directly from shear rate-dependent rheology using the Carreau-Arrhenius framework, enabling rational selection of operating conditions. Extension to surrogate immiscible multi-polymer systems based on PLD and PHD shows that interfacial area is highly sensitive to operating conditions and impeller design, with coaxial anchor-turbine configurations enhancing dispersion by up to 4 × .

Close-clearance impellers

Advanced blade-shaped thermal energy storage device: Development and application

Thermal energy storage (TES) using phase change materials (PCMs) is a promising approach for capturing and reusing excess thermal energy, yet widespread adoption is limited by low thermal conductivity, bulky configurations, and inadequate scalability. Here, this study presents a modular, blade-shaped TES prototype designed to address these challenges. The device integrates a lightweight aluminum shell, an embedded serpentine coil for active or passive heat exchange, and a cost-effective corrugated metal mesh for enhanced PCM thermal conductivity. With thickness-to-length and thickness-to-width ratios of 0.03 and 0.08, respectively, the blade-shaped TES achieves a compact, modular form factor suitable for space-constrained applications. Experimental testing demonstrated the efficient charge and discharge behavior of blade-shaped TES, capturing PCM superheating, phase-change transitions, and subcooling dynamics, with charging and discharging efficiencies of 94.9% and 94.6%, respectively. Also, the system can potentially achieve higher energy density than that of conventional TES designs. When integrated into a household refrigerator during the study, three blade-shaped TES modules successfully shifted 100% of peak-time compressor operation to off-peak hours, reducing energy consumption while maintaining more stable compartment temperatures. The blade-shaped TES's thin geometry, modularity, and enhanced thermal performance support scalable deployment across residential, commercial, and industrial applications, providing a versatile, cost-effective solution for high-efficiency, demand-flexible thermal energy management.

Blade-shaped

High entropy oxides prediction and discovery by the Mixed Enthalpy-Entropy Descriptor

The vast, high-dimensional composition space of high-entropy oxides (HEOs) offers exceptional opportunities for functional materials discovery, yet it also poses a fundamental challenge: the rational and efficient prediction of stable, synthesizable compositions and the corresponding structure–property relationships. Despite growing interest, the field still lacks broadly applicable, physically grounded descriptors capable of navigating various large chemical spaces. Here, we introduce a Mixed Enthalpy–Entropy Descriptor (MEED) that enables rapid, first-principles–based prediction of HEOs synthesizability across diverse chemistries. Using MEED, we perform high-throughput screening of two distinct HEO families: rocksalt oxides and perovskite oxides. The predicted top candidates in each family were experimentally validated. MEED reveals unifying thermodynamic and structural principles governing stability across both chemical compositions and polymorphs, providing mechanistic insight into the formation of high-entropy phases. This work significantly broadens the accessible chemical design space for HEOs and establishes a data-efficient framework for accelerating the discovery of next-generation functional materials.

Yu, Liping [University of Central Florida]

The Electron‐Density Distribution of UCl 4 and Its Topology from X‐ray Diffraction

Abstract The chemistry of electrons in actinide complexes and materials is still poorly understood and represents a serious challenge and opportunity for experiment and theory. The study of the electron density distribution of the ground state of such systems through X‐ray diffraction represents a unique opportunity to quantitatively investigate different chemical bonding interactions at once, but was considered “almost impossible” on heavy‐atom systems, until very recently. Here, we present a combined experimental and theoretical investigation of the electron density distribution in UCl_ 4 crystals and comparison with the previously reported spin density distribution from polarized neutron diffraction. All approaches provide a consistent picture in terms of electron and spin density distribution, and chemical bond characterization. More importantly, the synergy between experiments and quantum‐mechanical calculations allows to highlight the remarkable sensitivity of X‐ray diffraction to electrons in materials.

Chemistry

Semi-Transparent Perovskite Solar Cells in a Stacked Tandem Module: Cooperative Research and Development Final Report, CRADA Number CRD-19-00810

This project seeks to develop device design, materials composition, and processing tools and parameters to fabricate semi-transparent perovskite solar cells and modules for application in stand-alone products or added to other solar cells in a mechanically stacked tandem configuration. This technology presents significant advanced manufacturing challenges and opportunities in getting to scale, including development of perovskite inks, scalable perovskite and heterojunction deposition and annealing processes, heterojunction composition, transparent electrode composition and deposition process, anti-reflection layer composition and deposition process, and cell to module integration processes. Modification 5: The proposed project seeks to develop device design, materials composition, and processing tools and parameters to fabricate semi-transparent perovskite solar cells and modules for application in stand-alone products or added to other solar cells in a mechanically-stacked tandem configuration. This technology presents significant advanced manufacturing challenges and opportunities in getting to scale, including development of perovskite inks, scalable perovskite and heterojunction deposition and annealing processes, heterojunction composition, transparent electrode composition and deposition process, passivation layers including in module scribes, anti-reflection layer composition and deposition process, and cell to module integration processes. Advanced metrology and characterization will be performed on perovskite films, cells and module. Furthermore, we will examine module or materials recycling for circular economy considerations. Modifcation 6: Gigahertz frequency microwave pump-probe spectroscopies are highly sensitive to thin film semiconductor photoconductivity of individual and stacks of layers that comprise perovskite solar cells. As such, these techniques will be used to qualify reproducibility and quality correlations during the manufacturing process. Modification 7: Mechanical adhesion of top contacts within perovskite modules significantly impacts the durability of the module when exposed to accelerated degradation testing. The adhesion between the perovskite/transport layer interface and the transport layer/top contact interface are both very sensitive small changes in processing. ALD processing conditions of the transport layer will be tuned to optimize the mechanical adhesion within the perovskite module stack.

14 SOLAR ENERGY

Establishing model credibility for process-microstructure-property relationships in additive manufacturing using exascale computing

Additive Manufacturing (AM) of alloys holds significant promise as a disruptive technology in various industries, yet its adoption is often hindered by challenges in achieving consistent part quality. These issues are primarily due to the complex process-microstructure-property (PSP) relationships inherent to AM. Computational models can greatly aid in understanding these relationships, but their widespread impact and adoption has been limited by a lack of validated, open-source, and computationally efficient PSP modeling frameworks and hardware limitations. Here, this study leverages the ExaAM software suite and data from the AMBench-2018 series of laser powder bed fusion (LPBF) benchmark experiments to perform a comprehensive model assessment, including verification, validation, sensitivity analysis, and uncertainty quantification. The RADICAL-EnTK workflow manager was used to perform an ensemble of heat transport, solidification, and mechanical response simulations on the exascale computer Frontier, considering uncertainties in critical model inputs such as laser spot size and nucleation parameters, and consisting of 125 explicit grain structure simulations and 7875 crystal plasticity simulations. For a selected location within the Inconel 625 AMBench-2018 test artifact, sensitivity analysis and uncertainty quantification were performed using the predicted distributions of grain structure and mechanical properties. Qualitative agreement was found between the predicted grain size and texture and the observed AMBench-2018 microstructure, the mean predicted yield stress was within 5% of the experimental measurement mean, and the mean predicted engineering stress at 5% strain was within 10% of the experimental measurement mean. The insights gained from development and validation of the ExaAM PSP modeling framework will help guide future directions for enhancing the credibility and reliability of PSP models in AM, thereby accelerating the adoption of AM technologies in various industries.

Additive manufacturing

Influence of controlled disorder on the dipolar spin-ice state of Ho-based pyrochlores

Pyrochlore magnets of the form 𝑅 2 ⁢𝐵 2 ⁢O 7 , in which rare-earth ions on the 𝑅 site form a three-dimensional network of corner-sharing tetrahedra, provide a canonical setting for geometrical frustration. Ho-based pyrochlores host a dipolar spin-ice ground state, characterized by Ising moments constrained by the ice rules and elementary excitations analogous to magnetic monopoles. Here, in this work, we examine how controlled chemical disorder influences this state by introducing site mixing on the nonmagnetic 𝐵 site in two compounds. Ho 2⁢ GaSbO 7 contains only Ga 3+ /Sb 5+ charge disorder, whereas Ho 2 ⁢ScSbO 7 exhibits both charge and substantial size disorder arising from the large ionic-radius mismatch between Sc 3+ and Sb 5+ . Although both materials retain the pyrochlore structure, neutron-scattering measurements reveal a reduced correlation length for the 𝑅/𝐵-site cation ordering and enhanced local structural distortions in Ho 2 ⁢ScSbO 7 . Despite these structural differences, bulk thermodynamic measurements and magnetic diffuse scattering demonstrate that both systems exhibit the defining signatures of a dipolar spin-ice state. Low-energy inelastic neutron spectroscopy further uncovers broad magnetic excitations that develop within the dipolar spin-ice regime, a feature absent in pristine Ho pyrochlores and indicative of disorder-induced splitting of the non-Kramers ground-state doublet. Together, these results show that controlled disorder generates tunable transverse-field-driven quantum fluctuations in Ho-based pyrochlores, although the dipolar spin-ice state is remarkably robust to this disorder.

magnetic anisotropy

Radiative divertor detachment and impurity transport with nitrogen and neon seeding in KSTAR H-mode plasmas

Achieving core-edge compatible divertor detachment is a critical requirement for stable operation in future fusion devices. This study compares nitrogen and neon seeding in KSTAR H-mode plasmas with carbon walls, combining experiments and SOLPS-ITER modelling to evaluate their radiative dissipation and core-edge compatibility. Experimentally, N seeding achieved stronger divertor detachment, with larger reductions in target particle and heat fluxes, a higher divertor radiation fraction, and a lower core radiation fraction than Ne. In contrast, Ne seeding triggered a significant rise in core radiation followed by H–L back transitions, limiting the maximum total radiated power fraction to roughly half that of N. SOLPS-ITER simulations reproduced the experimental trends and revealed that the better core-edge compatibility of N arises from its higher divertor retention in addition to its higher cooling factor. The relative positions of the stagnation points of impurity poloidal velocity and ionization sources did not explain the different divertor compression. Instead, in the present modelling, the higher impurity parallel particle flux, resulting from the higher parallel impurity velocity, explains the stronger nitrogen impurity compression in the divertor region. The parallel temperature distribution with N was more favourable for achieving higher impurity parallel velocity than with Ne, because the impurity velocity is governed by modifications of the main ion flow due to friction and thermal forces, both of which strongly depend on the temperature. Ultimately, this behaviour is attributed to the strongly divertor-localized radiation of N. These results demonstrate that N is more effective than Ne in achieving radiative divertor detachment while maintaining low core contamination in KSTAR, consistent with observations in other present tokamaks.

KSTAR

Tritium Betavoltaic Powered Sensor Platforms: Power Augmentation with Scintillating Particles

Betavoltaics (BV) are long-life power sources that typically convert beta particle radiation into electricity. Largely, the radioactive decays within the source go unharvested by the device. This work seeks to augment the power generation of BV devices by integration of scintillating particles within the radiative getter to convert beta emission which would otherwise not leave the getter into usable light for power generation. Silica-covered barium fluoride scintillating particles were integrated into a tritiated water getter. Power generation was increased from 100s of nW to µW levels with the addition of 0.2 wt. % particles into the getter. Nanowatt-scale sensor platforms were demonstrated with the µW BV devices and the maximum possible lifetime of such platforms was estimated. As this technique enables higher power density BV devices from conventional Si semiconductors (compared to wider bandgap BVs), the further implementation may lower the barrier-to-deployment of these long-life power/sensor platforms.

42 ENGINEERING

Three-dimensional dispersion in the type-II Dirac semimetals PtTe 2 and PdTe 2 revealed through circular dichroism in angle-resolved photoemission spectroscopy

PtTe 2 and PdTe 2 are among the first transition metal dichalcogenides that were predicted to host type-II Dirac fermions, exotic particles prohibited in free space. These materials are layered and air stable, which makes them top candidates for technological applications that take advantage of their anisotropic magnetotransport properties. Here, in this work, we provide a detailed characterization of the electronic structure of PtTe 2 and PdTe 2 using angle-resolved photoemission spectroscopy (ARPES) and density functional theory calculations, offering an alternative interpretation for one of the Dirac-like dispersions in these materials. Through the use of circularly polarized light, we report a different behavior of such dispersion in PdTe 2 compared to PtTe 2 , that we relate to a symmetry analysis of the dipole matrix element. Such analysis reveals a link between the observed circular dichroism and the different momentum-dependent terms in the dispersion of these two compounds, despite their close similarity in crystal structure. Additionally, our data show a clear difference in the circular dichroic signal for the type-II Dirac cones characteristic of these materials, compared to their topologically protected surface states. Our paper provides a useful reference for the ARPES characterization of other transition metal dichalcogenides with topological properties and illustrates the use of circular dichroism as a guide to identify the topological character and attributes of two otherwise equivalent band dispersions.

angle-resolved photoemission spectroscopy