The Effects of Upper‐Hybrid Waves on Energy Dissipation in the Electron Diffusion Region
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Kyunghwan Dokgo↗
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A hybrid optoelectronic Mott insulator
The coupling of electronic degrees of freedom in materials to create “hybridized functionalities” is a holy grail of modern condensed matter physics that may produce versatile mechanisms of control. Correlated electron systems often exhibit coupled degrees of freedom with a high degree of tunability which sometimes lead to hybridized functionalities based on external stimuli. However, the mechanisms of tunability and the sensitivity to external stimuli are determined by intrinsic material properties which are not always controllable. A Mott metal-insulator transition (MIT) is technologically attractive due to the large changes in resistance, tunable by doping, strain, electric fields, and orbital occupancy but not, in and of itself, controllable with light. Here, an alternate approach is presented to produce optical functionalities using a properly engineered photoconductor/strongly correlated hybrid heterostructure. This approach combines a photoconductor, which does not exhibit an MIT, with a strongly correlated oxide, which is not photoconducting. Due to the intimate proximity between the two materials, the heterostructure exhibits giant volatile and nonvolatile, photoinduced resistivity changes with substantial shifts in the MIT transition temperatures. This approach can be extended to other judicious combinations of strongly correlated materials.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Electronic spectra with paramagnon fractionalization in the single-band Hubbard model
We examine spectral properties of a recently proposed theory of the intermediate temperature pseudogap metal phase of the cuprates. We show that this theory can be obtained from the familiar paramagnon theory of nearly antiferromagnetic metals by fractionalizing the paramagnon into two “hidden” layers of S = 1 / 2 spins. The first hidden layer of spins hybridizes with the electrons as in a Kondo lattice heavy Fermi liquid, whereas the second hidden layer of spins forms a spin liquid with fractionalized spinon excitations. Here, we compute the imaginary part of the electronic self-energy induced by the spinon excitations.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Electronic and Thermal Properties of the Cation Substitution-Derived Quaternary Chalcogenide CuInSnSe 4
Quaternary chalcogenides continue to be of interest for a variety of technological applications, with physical properties stemming from their structural complexity and stoichiometric variation. In certain structure types, partial vacancies on specific lattice positions present an opportunity to investigate electrical and thermal properties in light of these lattice defects. In this work, we investigated the structural, thermal, and electronic properties of CuInSnSe 4 , a material that belongs to a relatively unexplored class of quaternary chalcogenides with a defect adamantine crystal structure. First-principles calculations together with experimental measurements revealed a chalcopyrite-like structure with inherent vacancies and characteristic s–p and p–d orbital hybridizations in the electronic structure of the material. Cation disorder and lattice anharmonicity result in very low thermal conductivity with values significantly lower than those for related compositions. In conclusion, this work reveals the fundamental physical properties of a previously uninvestigated quaternary chalcogenide and may aid investigations of similar as well as other quaternary chalcogenide compositions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A hybrid Monte Carlo study of bond-stretching electron–phonon interactions and charge order in BaBiO3
Abstract The relationship between electron–phonon ( e -ph) interactions and charge-density-wave (CDW) order in the bismuthate family of high-temperature superconductors remains unresolved. We address this question using nonperturbative hybrid Monte Carlo calculations for the parent compound BaBiO 3 . Our model includes the Bi 6 s and O 2 p σ orbitals and coupling to the Bi-O bond-stretching branch of optical phonons via modulations of the Bi-O hopping integral. We simulate three-dimensional clusters of up to 4000 orbitals, with input model parameters taken from ab initio electronic structure calculations and a phonon energy ℏΩ 0 = 60 meV. Our results demonstrate that the coupling to the bond-stretching modes is sufficient to reproduce the CDW transition in this system, despite a relatively small dimensionless coupling. We also find that the transition deviates from the weak-coupling Peierls’ picture. This work demonstrates that off-diagonal e -ph interactions in orbital space are vital in establishing the bismuthate phase diagram.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
An innovative design for autonomous backup attitude control of the Gamma Ray Observatory
The Gamma Ray Observatory is a NASA funded three-axis stabilized spacecraft which will carry four scientific instruments to observe gamma ray phenomena. The requirement to protect the scientific mission from system failures led to the attitude control and determination system design described in this paper. The design employs nine control modes with error detection, hardware substitution, and autonomous mode switching. The system architecture evolved to eliminate cross-dependence between the primary on-board computer (OBC) and the backup control processor electronics. Cross strapping of sensors and actuators and separation of the input/output electronics ensure that a reliable set of sensors and actuators will be available for backup mode operation. The OBC software includes failure detection, hardware reconfiguration, and mode switching logic which provide the ability to autonomously transfer, upon anomaly, to a reliable backup mode. Verification of this mode transition design is done in four test programs: at the unit level, by analytical simulation, by a hybrid breadboard electronics-simulation setup, and by a flight hardware-simulation test.
Tai, F.↗
Enhanced collisionless laser absorption in strongly magnetized plasmas
We report that strongly magnetizing a plasma adds a range of waves that do not exist in unmagnetized plasmas and enlarges the laser-plasma interaction (LPI) landscape. In this paper, we use particle-in-cell simulations to investigate strongly magnetized LPI in one dimension under conditions relevant for magneto-inertial fusion experiments, focusing on a regime where the electron-cyclotron frequency is greater than the plasma frequency and the magnetic field is at an oblique angle with respect to the wave vectors. We show that when electron-cyclotron-like hybrid wave frequency is about half the laser frequency, the laser light resonantly decays to magnetized plasma waves via primary and secondary instabilities with large growth rates. These distinct magnetic-field-controlled instabilities, which we collectively call two-magnon decays, are analogous to two-plasmon decays in unmagnetized plasmas. Since additional phase mixing mechanisms are introduced by the oblique magnetic field, collisionless damping of large-amplitude magnetized waves substantially broadens the electron distribution function, especially along the direction of the magnetic field. During this process, energy is transferred efficiently from the laser to plasma waves and then to electrons, leading to a large overall absorptivity when strong resonances are present. The enhanced laser energy absorption may explain hotter-than-expected temperatures observed in magnetized laser implosion experiments and may also be exploited to develop more efficient laser-driven x-ray sources.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
A hybrid thermal/nonthermal model for the energetic emissions from solar flares
We present an alternative interpretation of the high-resolution solar flare spectra obtained in 1981 by Lin et al. In our interpretation electron heating and acceleration are simultaneous and physically linked, rather than heating being a secondary effect of particle acceleration. We show that the observed properties of solar flare X-ray emission can in general be explained through the Joule heating and electric field acceleration of runaway electrons in current channels. We have fitted a hybrid thermal/nonthermal electron distribution, consisting of hot isothermal electrons with a nonthermal tail of runaway electrons, to representative spectra obtained by Lin et al. The hybrid model relaxes the electron number and energy flux requirements for the hard X-ray emission over those of a purely nonthermal model. The low-energy 'cutoff' to the nonthermal part of the X-ray spectrum is determined by the critical velocity in the electron distribution above which runaway acceleration occurs. We relate the fit parameters to the physical properties (such as the electric field strength in the current channels) of the acceleration region.
Holman, Gordon D.↗
Ultrafast Correlation Energy Estimator
A virtually no-cost method is proposed that can compute the correlation energies of general, covalently bonded, organic, and inorganic molecules (including conjugated π-electron systems) with a well-defined dominant Lewis structure at the accuracy of 99.5% of the near-exact values determined by the coupled-cluster singles, doubles, and perturbative triples [CCSD(T)] in the complete-basis-set (CBS) limit. This Correlation Energy Per Bond (CEPB) method assigns a partial correlation energy to each bond type (characterized by the identities of the two atoms forming the bond and its integer bond order) and to a lone pair, regardless of the bond length, bond angle, sp-hybridization, π-electron conjugation, ionicity, noncovalent interactions, etc. At its current stage, the method is mainly suitable for near-equilibrium geometries. The correlation energies per bond are determined by a fit to the CCSD(T)/CBS benchmarks. It can neither improve the equilibrium structures nor discern conformers or positional isomers, yet its accuracy for reaction energies rivals that of the second-order Møller–Plesset perturbation theory, which is far more expensive. Its promising performance underscores the possibility that surprisingly compact, chemically intuitive molecular fragments exist into which correlation energies can be partitioned, leading to various ultrafast correlation-energy estimators tailored to different purposes.
Binding energy↗
Dynamic Model of Back-to-Back Converter for System Level Phasor Simulation
The power system is expected to evolve rapidly with increasing deployment of power electronic interface and conditioning systems, microgrids, and hybrid AC/DC grids. Among power electronic systems, back-to-back (BTB) converters can be a powerful interface to integrate microgrids and networked microgrids. However, in system level dynamic simulations for synchronous machine dominated system with BTB converters, a detailed electromagnetic sinusoidal models is not warranted as these simulations are focused on electromechanical transients. This paper focus on developing a simple phasor model for back- to-back converters that can be easily integrated into powerflow solvers to facilitate large-scale power system simulations. The model is implemented using C++ language and integrated into GridLAB-D software as a potential new capability. The GridLAB-D phasor domain model is validated against the electromagnetic transient (EMT) simulation of the detailed switching model. Simulation results show that the phasor model successfully captures the dominant dynamics of the converters.
Mahmood, Hisham↗
Valence transition and termination-dependent surface states in the topological Kondo semimetal YbPtBi
Here, the Yb-terminated and Bi-terminated (111) surface electronic structure of topological Kondo semimetal YbPtBi is investigated using both density-functional-theory (DFT) -based calculations and angle-resolved photoemission spectroscopy (ARPES). The cleavage plane is found to be between Yb-layers and Bi-layers in both experiment and theory, and the broken inversion symmetry ensures the Yb-terminated surface does not mix with the Bi-terminated surface. The ARPES results at the Bi-terminated surface are similar to those reported for YPtBi or LuPtBi, and they can be well explained using DFT calculations assuming trivalent Yb atoms. In contrast, at the Yb-terminated surface, a trivalent to divalent transition and reduced hybridization with conduction electrons for the topmost Yb atoms are observed, as a result of reduced bonding with Bi-atoms. In addition, the Fermi arc features induced by the triply degenerate-points, which are missing at the Bi-terminated surface, can be identified at the Yb-terminated surface. Our study demonstrates unambiguously the reconstruction of surface electronic structure due to the valence transition of the lanthanide element in a Kondo lattice system.
36 MATERIALS SCIENCE↗
Microbially induced precipitation of silica by anaerobic methane-oxidizing consortia and implications for microbial fossil preservation
Authigenic carbonate minerals can preserve biosignatures of microbial anaerobic oxidation of methane (AOM) in the rock record. It is not currently known whether the microorganisms that mediate sulfate-coupled AOM—often occurring as multicelled consortia of anaerobic methanotrophic archaea (ANME) and sulfate-reducing bacteria (SRB)—are preserved as microfossils. Electron microscopy of ANME-SRB consortia in methane seep sediments has shown that these microorganisms can be associated with silicate minerals such as clays [Chen et al., Sci. Rep. 4, 1–9 (2014)], but the biogenicity of these phases, their geochemical composition, and their potential preservation in the rock record is poorly constrained. Long-term laboratory AOM enrichment cultures in sediment-free artificial seawater [Yu et al., Appl. Environ. Microbiol. 88, e02109-21 (2022)] resulted in precipitation of amorphous silicate particles (~200 nm) within clusters of exopolymer-rich AOM consortia from media undersaturated with respect to silica, suggestive of a microbially mediated process. The use of techniques like correlative fluorescence in situ hybridization (FISH), scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS), and nanoscale secondary ion mass spectrometry (nanoSIMS) on AOM consortia from methane seep authigenic carbonates and sediments further revealed that they are enveloped in a silica-rich phase similar to the mineral phase on ANME-SRB consortia in enrichment cultures. Like in cyanobacteria [Moore et al., Geology 48, 862–866 (2020)], the Si-rich phases on ANME-SRB consortia identified here may enhance their preservation as microfossils. Finally, the morphology of these silica-rich precipitates, consistent with amorphous-type clay-like spheroids formed within organic assemblages, provides an additional mineralogical signature that may assist in the search for structural remnants of microbial consortia in rocks which formed in methane-rich environments from Earth and other planetary bodies.
54 ENVIRONMENTAL SCIENCES↗
Oblique High Mach Number Heliospheric Shocks: The Role of α Particles
Spacecraft observations of heliospheric shocks often find oscillations in the magnetic field and density both, upstream and downstream. The downstream magnetic oscillations of oblique collisionless shocks were detected by Wind with 10.9 samples/s and DSCOVR spacecraft with high temporal resolution of 50 samples/s. The density oscillations associated with the shocks are also evident in proton and α particle density by Wind (with much lower temporal resolution). Recently, we have investigated low Mach number low-β oblique shock oscillations using satellite data and 2.5D hybrid modeling with electrons modeled as fluid and ions modeled as particles and found that α particles—an important component of heliospheric plasma—may affect considerably the downstream oscillations and the shock structure. The objective of the present study is to investigate the effects of α particles on high Mach number heliospheric shocks dynamics, oscillations, nonstationarity, and shock-front rippling. We extend the study to high Mach number shocks (M > 3), investigate several α particle typical densities, and compare the results for the various shock parameters. We model the effects of α particles on the shock ramp, wake, and downstream oscillation structure and the kinetic properties of proton and α particle velocity distributions at various locations downstream of the shocks. Using the 2.5D hybrid model we found that the modeled high Mach number quasi-perpendicular shock magnetic and density structures are significantly affected by α particles with typical solar wind relative abundances, suggesting that the observed high Mach number shocks are similarly affected by α particles.
Leon Ofman↗
Putting error bars on density functional theory dataset
This dataset contains submission files and raw output files from high-throughput DFT simulations to analyze the systemic errors in lattice constant, bulk moduli and formation energy predictions for a range of binary and ternary oxides using four exchange correlation functionals (LDA, PBE, PBEsol and vdW-DF-C09). This data was then used as the basis for employing materials informatics methods to predict the expected errors in the lattice constants of the studied compounds. Predicted errors were also used to better the DFT-predicted lattice parameters. Our results emphasize the link between the computed errors and the electron density and hybridization errors of a functional. In essence, these results provide “error bars” for choosing a functional for the creation of high-accuracy, high-throughput datasets as well as avenues for the development of XC functionals with enhanced performance, thereby enabling the accelerated discovery and design of new materials.
36 MATERIALS SCIENCE↗
Nonlinear generation of whistler waves by an ion beam
An electromagnetic hybrid code is used to simulate a new mechanism for whistler wave generation by an ion beam. First, a field-aligned ion beam becomes unstable to the electromagnetic ion/ion right-hand resonant instability which generates large amplitude MHD-like waves. These waves then trap the ion beam and increase its effective temperature anisotropy. As a result, the growth rates of the electron/whistler instability are significantly enhanced, and whistlers start to grow above the noise level. At the same time, because of the reduced parallel drift speed of the ion beam, the frequencies of the whistlers are also downshifted. Full simulations were performed to isolate and separately investigate the electron/ion whistler instability. The results are in agreement with the assumption of fluid electrons in the hybrid simulations and with the linear theory of the instability.
Akimoto, K.↗
DE 1 and Viking observations associated with electron conical distributions
Data from the electron detectors on board the Swedish Viking satellite launched during a period of low solar activity and from the Dynamic Explorer (DE) 1 satellite launched during active solar coditions have been examined for the occurrence and location of electron conical distributions and several conclusions can be drawn. First, we note that most of the best examples of electron conics observed by the V-3 experiment onboard Viking occurred in the afternoon sector in the range of magneitc local time 14 hours less than Magnetic Local Time (MLT) less than 18 hours, at midaltitudes in the range 10,000 km less than h less than 13,500 km, with few occurring in the nightside auroral region, a region poorly sampled at altitudes greater than 5000 km. For the Viking data there is an association of electron conics with upper hybrid waves. DE 1 observations made by the high-altitude plasma instrument (HAPI) indicate that electron conics were observed in the midmorning sector and the late evening sector, and as has been reported earlier, the correlation with upper hybird waves was good. The HAPI did not sample the afternoon sector. The electon conics observed on both satellites occurred in the presence of at least a modest (several kilovolts) potential difference beneath the satellite with a maximum energy that was usually, but not always, equal to or greater than the maximum energy of the electron conics. Two independent sets of observations by DE 1 suggest two distinct production mechanisms for electron conics. Examiniation of DE 1 electric field measurements from the plasma wave instrument during the observation of electron conics show simultaneous parallel oscillations in the frequency range of 0.2 Hz less than f less than 0.5 Hz during one and perhaps two of four events examined, and upper hybrid waves were observed on all four events. In addition, recent observations of '90-deg' electron conics associated with auroral kilometric radiation source regions suggest a perpendicular heating mechanism produced by wave-particle interaction. Such distributions may be observed as electron conics at higher altitudes. These results suggest more than one possible source mechanism may be responsible for electron conics.
Menietti, J. D.↗
Proximity-Induced Superconductivity in a 2D Kondo Lattice of an f -Electron-Based Surface Alloy
Realizing hybrids of low-dimensional Kondo lattices and superconducting substrates leads to fascinating platforms for studying the exciting physics of strongly correlated electron systems with induced superconducting pairing. Here, we report a scanning tunneling microscopy and spectroscopy study of a new type of two-dimensional (2D) La–Ce alloy grown epitaxially on a superconducting Re(0001) substrate. We observe the characteristic spectroscopic signature of a hybridization gap evidencing the coherent spin screening in the 2D Kondo lattice realized by the ultrathin La–Ce alloy film on normal conducting Re(0001). Upon lowering the temperature below the critical temperature of rhenium, a superconducting gap is induced exhibiting an energy asymmetry of the coherence peaks that arises from the interaction of residual unscreened magnetic moments with the superconducting substrate. A positive correlation between the Kondo hybridization gap and the asymmetry of the coherence peaks is found.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Photoinduced Electron and Energy Transfer Pathways and Photocatalytic Mechanisms in Hybrid Plasmonic Photocatalysis
Hybrid plasmonic nanostructures are built on plasmonic metalnanostructures surrounded by catalytic metals or metal oxides. We report that recent studies have shown that hybrid plasmonic nanocatalysts can concurrently utilize thermal energy and photon stimuli and exhibit high catalytic activity, selectivity, and stability that are not attainable in conventional purely thermally activated catalytic processes. The hybrid plasmonic photocatalytic approach has recently emerged as an attractive concept for the conversion of solar energy into chemical energy, the distributed synthesis of valuable chemicals such as ammonia with little to no requirement of external heating, and the development of coke-resistant and selective catalytic processes. The field of hybrid plasmonic photocatalysis has grown tremendously in the last decade. In this review article, the advantages of visible-light-augmented hybrid plasmonic photocatalysis over conventional pure thermally activated heterogeneous catalysis are discussed. Fundamental insights are provided into photocatalytic mechanisms by which the photoexcited charge carriers (electrons and holes) are formed and transferred to adsorbates triggering chemical transformations on the surface of hybrid plasmonic nanocatalysts. Computational modeling used for predicting and understanding the photocatalytic activity and selectivity on hybrid plasmonic nanostructures is also reviewed. The review closes with a discussion of the current challenges, new opportunities, and future outlook for hybrid plasmonic photocatalysis.
36 MATERIALS SCIENCE↗