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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Paramagnetic electronic structure of CrSBr: Comparison between ab initio G W theory and angle-resolved photoemission spectroscopy

Here, we explore the electronic structure of paramagnetic CrSBr by comparative first-principles calculations and angle-resolved photoemission spectroscopy. We theoretically approximate the paramagnetic phase using a supercell hosting spin configurations with broken long-range order and applying quasiparticle self-consistent GW theory, without and with the inclusion of excitonic vertex corrections to the screened Coulomb interaction (QS GW and QS $G\widehat{W}$, respectively). Comparing the quasiparticle band-structure calculations to angle-resolved photoemission data collected at 200 K results in excellent agreement. This allows us to qualitatively explain the significant broadening of some bands as arising from the broken magnetic long-range order and/or electronic dispersion perpendicular to the quasi-two-dimensional layers of the crystal structure. The experimental band gap at 200 K is found to be at least 1.51 eV at 200 K. At lower temperature, no photoemission data can be collected as a result of charging effects, pointing towards a significantly larger gap, which is consistent with the calculated band gap of approximately 2.1 eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Rearrangement collision theory of phonon-driven exciton dissociation

Understanding the processes governing the dissociation of excitons to free charge carriers in semiconductors and insulators is of central importance for photovoltaic applications. Dyson's S-matrix formalism provides a framework for computing scattering rates between quasiparticle states derived from the same underlying Hamiltonian, often reducing to familiar Fermi's “golden rule” like expressions at first order. By presenting a rigorous formalism for multichannel scattering, we extend this approach to describe scattering between composite quasiparticles and, in particular, the process of exciton dissociation mediated by the electron-phonon interaction. Subsequently, we derive rigorous expressions for the exciton dissociation rate, a key quantity of interest in optoelectronic materials, which enforce correct energy conservation and may be readily used in ab initio calculations. We apply our formalism to a three-dimensional model system to compare temperature-dependent exciton rates obtained for different scattering channels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Density Dependence of the Phases of the v = 1 Integer Quantum Hall Plateau in Low Disorder Electron Gases

Recent magnetotransport measurements in low-disorder electron systems confined to GaAs/AlGaAs samples reveal that the v = 1 integer quantum Hall plateau is broken into three distinct regions. These three regions are associated with two phases with different types of bulk localization: the Anderson insulator is due to random quasiparticle localization, and the integer quantum Hall Wigner solid is due to pinning of a stiff quasiparticle lattice. Universal properties of the v = 1 plateau are highlighted: the structure of the stability diagram, the nonmonotonic dependence of the activation energy on the filling factor, and the alignment of features of the activation energy with features of the stability regions of the different phases are found to be similar in three samples spanning a wide range of electron densities. Quantitative differences between the samples are also discussed, such as the dependence of the onset temperature and the activation energy of the integer quantum Hall Wigner solid on the electron density. The findings provide insights into the localization behavior along the v = 1 integer quantum Hall plateau in the low disorder regime.

Anderson insulator↗
DOE OSTI2021

In Operando Angle‐Resolved Photoemission Spectroscopy with Nanoscale Spatial Resolution: Spatial Mapping of the Electronic Structure of Twisted Bilayer Graphene

To pinpoint the electronic and structural mechanisms that affect intrinsic and extrinsic performance limits of 2D material devices, it is of critical importance to resolve the electronic properties on the mesoscopic length scale of such devices under operating conditions. Herein, angle‐resolved photoemission spectroscopy with nanoscale spatial resolution (nanoARPES) is used to map the quasiparticle electronic structure of a twisted bilayer graphene device. The dispersion and linewidth of the Dirac cones associated with top and bottom graphene layers are determined as a function of spatial position on the device under both static and operating conditions. The analysis reveals that microscopic rotational domains in the two graphene layers establish a range of twist angles from 9.8° to 12.7°. Application of current and electrostatic gating lead to strong electric fields with peak strengths of 0.75 V/μm at the rotational domain boundaries in the device. These proof‐of‐principle results demonstrate the potential of nanoARPES to link mesoscale structural variations with electronic states in operating device conditions and to disentangle such extrinsic factors from the intrinsic quasiparticle dispersion.

Majchrzak, Paulina↗
DOE OSTI2022

Superfluid effective field theory for dark matter direct detection

We develop an effective field theory (EFT) framework for superfluid 4 He to model the interactions among quasiparticles, helium atoms and probe particles. Our effective field theory approach brings together symmetry arguments and power-counting and matches to classical fluid dynamics. We then present the decay and scattering rates for the relevant processes involving quasiparticles and helium atoms. The presented EFT framework and results can be used to understand the dynamics of thermalization in the superfluid, and can be further applied to sub-GeV dark matter direct detection with superfluid 4 He.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Know the enemy: 2D Fermi liquids

Highlights: • Regime of validity of the Fermi liquid theory in 2D interacting Fermi systems has been investigated. • Phase diagram for hydrodynamic and ballistic regimes in the frequency–temperature space has been obtained. • Temperature correction to quasiparticle effective mass has been calculated. • 2D Wiedemann–Franz law and 2D Kadawoki–Woods relation have been discussed. We describe an analytical theory investigating the regime of validity of the Fermi liquid theory in interacting, via the long-range Coulomb coupling, two-dimensional Fermi systems comparing it with the corresponding 3D systems. We find that the 2D Fermi liquid theory and 2D quasiparticles are robust up to high energies and temperatures of the order of Fermi energy above the Fermi surface, very similar to the corresponding three-dimensional situation. We calculate the phase diagram in the frequency–temperature space separating the collisionless ballistic regime and the collision-dominated hydrodynamic regime for 2D and 3D interacting electron systems. We also provide the temperature corrections up to third order for the renormalized effective mass, and comment on the validity of 2D Wiedemann–Franz law and 2D Kadawoki–Woods relation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Ultrafast Formation of Jahn–Teller Polarons Revealed by State-Selective Excitation in Correlated Spinel Co 3 O 4

Jahn–Teller polarons are quasiparticles that stem from symmetry breaking and strong local electron–phonon coupling. They originate from an excess charge carrier being dressed by a local lattice distortion, caused by the Jahn–Teller effect, and they critically impact electrical, structural, and magnetic properties in transition metal oxides. The observation of the microscopic steps involved in their formation is essential for enabling control over material properties through the targeted activation of local, site-specific modifications with light pulses. While Jahn–Teller distortion associated with polaron formation was predicted to contribute significantly to changes in electronic band gap and optical properties in Co 3 O 4 , its experimental observation remains elusive, requiring signatures of local symmetry reduction. In this work, we demonstrate Jahn–Teller polaron formation in spinel Co 3 O 4 . By exciting electronic transitions at 3.10 eV and 1.55 eV, we target either the Oh Cobalt(III) or the Td Cobalt(II) ions, and drive the subsequent coherent responses of the system through two different pathways. For the former, we demonstrate that ligand-to-metal charge transfer leads to Jahn–Teller polaron formation, which is linked to the deformation potential and magnetoelastic coupling. For the latter, we identify the coherent excitation of a T 2g phonon mode launched by on-site d-d electronic transitions. Key to our observations is the ability to target site-specific electronic excitations in spinel Co 3 O 4 using ultrafast optical pulses, while monitoring the ensuing low-energy collective modes through the coherent time-domain response of the material. Our approach, which combines the comparative analysis of experimental fingerprints with the support from density functional theory calculations, is broadly applicable to systems in which Jahn–Teller polaron physics has been theoretically predicted but remains experimentally unverified, and it underscores the potential of electronic-state targeting as a route to selectively excite and probe quasiparticle dynamics in solids.

Lattices↗
DOE OSTI2023

Causal structure of interacting Weyl fermions in condensed matter systems

Abstract The spacetime light cone is central to the definition of causality in the theory of relativity. Recently, links between relativistic and condensed matter physics have been uncovered, where relativistic particles can emerge as quasiparticles in the energy-momentum space of matter. Here, we unveil an energy-momentum analogue of the spacetime light cone by mapping time to energy, space to momentum, and the light cone to the Weyl cone. We show that two Weyl quasiparticles can only interact to open a global energy gap if they lie in each other’s energy-momentum dispersion cones–analogous to two events that can only have a causal connection if they lie in each other’s light cones. Moreover, we demonstrate that the causality of surface chiral modes in quantum matter is entangled with the causality of bulk Weyl fermions. Furthermore, we identify a unique quantum horizon region and an associated ‘thick horizon’ in the emergent causal structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Magnetically propagating Hund’s exciton in van der Waals antiferromagnet NiPS3

Abstract Magnetic van der Waals (vdW) materials have opened new frontiers for realizing novel many-body phenomena. Recently NiPS 3 has received intense interest since it hosts an excitonic quasiparticle whose properties appear to be intimately linked to the magnetic state of the lattice. Despite extensive studies, the electronic character, mobility, and magnetic interactions of the exciton remain unresolved. Here we address these issues by measuring NiPS 3 with ultra-high energy resolution resonant inelastic x-ray scattering (RIXS). We find that Hund’s exchange interactions are primarily responsible for the energy of formation of the exciton. Measuring the dispersion of the Hund’s exciton reveals that it propagates in a way that is analogous to a double-magnon. We trace this unique behavior to fundamental similarities between the NiPS 3 exciton hopping and spin exchange processes, underlining the unique magnetic characteristics of this novel quasiparticle.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Observation of interlayer plasmon polaron in graphene/WS 2 heterostructures

Harnessing electronic excitations involving coherent coupling to bosonic modes is essential for the design and control of emergent phenomena in quantum materials. In situations where charge carriers induce a lattice distortion due to the electron-phonon interaction, the conducting states get “dressed", which leads to the formation of polaronic quasiparticles. The exploration of polaronic effects on low-energy excitations is in its infancy in two-dimensional materials. Here, we present the discovery of an interlayer plasmon polaron in heterostructures composed of graphene on top of single-layer WS 2 . By using micro-focused angle-resolved photoemission spectroscopy during in situ doping of the top graphene layer, we observe a strong quasiparticle peak accompanied by several carrier density-dependent shake-off replicas around the single-layer WS 2 conduction band minimum. Our results are explained by an effective many-body model in terms of a coupling between single-layer WS 2 conduction electrons and an interlayer plasmon mode. It is important to take into account the presence of such interlayer collective modes, as they have profound consequences for the electronic and optical properties of heterostructures that are routinely explored in many device architectures involving 2D transition metal dichalcogenides.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Strongly coupled edge states in a graphene quantum Hall interferometer

Electronic interferometers using the chiral, one-dimensional (1D) edge channels of the quantum Hall effect (QHE) can demonstrate a wealth of fundamental phenomena. The recent observation of phase jumps in a Fabry-Pérot (FP) interferometer revealed anyonic quasiparticle exchange statistics in the fractional QHE. When multiple integer edge channels are involved, FP interferometers have exhibited anomalous Aharonov-Bohm (AB) interference frequency doubling, suggesting putative pairing of electrons into 2e quasiparticles. Here, we use a highly tunable graphene-based QHE FP interferometer to observe the connection between interference phase jumps and AB frequency doubling, unveiling how strong repulsive interaction between edge channels leads to the apparent pairing phenomena. By tuning electron density in-situ from filling factor v < 2 to v > 7, we tune the interaction strength and observe periodic interference phase jumps leading to AB frequency doubling. Our observations demonstrate that the combination of repulsive interaction between the spin-split v = 2 edge channels and charge quantization is sufficient to explain the frequency doubling, through a near-perfect charge screening between the localized and extended edge channels. Our results show that interferometers are sensitive probes of microscopic interactions and enable future experiments studying correlated electrons in 1D channels using density-tunable graphene.

42 ENGINEERING↗
DOE OSTI2025

Weyl phonons: the connection of topology and chirality

Topology and chirality of fermionic quasiparticles have enabled exciting discoveries, including quantum anomalous Hall liquids and topological superconductivity. Recently, topological and chiral phonons emerge as new and fast-evolving research directions. While these concepts are separately developed, they are intimately connected in the context of Weyl phonons. The couplings between chiral and topological phonons with various electronic and magnetic quasiparticles are predicted to give rise to new quantum states and giant magnetism with fundamental and applicational interests, ranging from quantum information science to dark matter detectors.

Zhang, Tiantian [Chinese Academy of Sciences (CAS)↗
DOE OSTI2025

Localizing individual exciton on a quantum Hall antidot

Excitons are bond states of electron-hole pairs formed through Coulomb interaction. While excitonic phases have been widely studied in semiconductors and quantum Hall double-layers, prior works largely focus on bulk systems with large number of excitons, limiting their applications in quantum devices. Here, employing the approach of quantum Hall antidot with two spatially separated edge channels, we demonstrate a type of quantum Hall quasiparticle exciton which represents a quantum-coherent bound state of an electron and a hole situated on their corresponding edges coupled through intralayer tunneling and Coulomb interaction. This approach allows localization and electrical tuning of individual quantum Hall excitons. Quantum-coherent dynamics of exciton are observed in the gate-dependence of antidot conductance peaks near the electron-hole resonance, which signifies a quantum superposition of vacuum- and electron-hole pairing states. Modeling the electron-hole pair as a coupled two-level system, semi-quantitative understanding of experimental observations is achieved. This work opens avenues for creating quantum systems of multiple quantum Hall quasiparticles.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Correlation-driven electron-hole asymmetry in graphene field effect devices

Electron-hole asymmetry is a fundamental property in solids that can determine the nature of quantum phase transitions and the regime of operation for devices. The observation of electron-hole asymmetry in graphene and recently in twisted graphene and moiré heterostructures has spurred interest into whether it stems from single-particle effects or from correlations, which are core to the emergence of intriguing phases in moiré systems. Here, we report an effective way to access electron-hole asymmetry in 2D materials by directly measuring the quasiparticle self-energy in graphene/Boron Nitride field-effect devices. As the chemical potential moves from the hole to the electron-doped side, we see an increased strength of electronic correlations manifested by an increase in the band velocity and inverse quasiparticle lifetime. These results suggest that electronic correlations intrinsically drive the electron-hole asymmetry in graphene and by leveraging this asymmetry can provide alternative avenues to generate exotic phases in twisted moiré heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Direct observation of anyonic braiding statistics

Anyons are quasiparticles that, unlike fermions and bosons, show fractional statistics when two of them are exchanged. Here, we report experimental observation of anyonic braiding statisticsfor the ν 1/3 fractional quantum Hall state using a device that is equivalent to a Fabry-Perot interferometer. Strong Aharonov-Bohm interference of the edge mode is punctuated by discrete phase slips that indicate an anyonic phase of $\theta$ anyon = 2π/3. Here, our results are consistent with a recent theory for an interferometer operated in a regime in which device charging energy is small compared to the energy of formation of charged quasiparticles, indicating that we have observed anyonic braiding.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Unusual high-field metal in a Kondo insulator

Strong electronic interactions in condensed-matter systems often lead to unusual quantum phases. One such phase occurs in the Kondo insulator YbB12, the insulating state of which exhibits phenomena that are characteristic of metals, such as magnetic quantum oscillations, a gapless fermionic contribution to heat capacity and itinerant-fermion thermal transport. To understand these phenomena, it is informative to study their evolution as the energy gap of the Kondo insulator state is closed by a large magnetic field. Here we show that clear quantum oscillations are observed in the resulting high-field metallic state in YbB12; this is despite it possessing relatively high resistivity, large effective masses and huge Kadowaki–Woods ratio, a combination that normally precludes quantum oscillations. Both quantum oscillation frequency and cyclotron mass display a strong field dependence. By tracking the Fermi surface area, we conclude that the same quasiparticle band gives rise to quantum oscillations in both insulating and metallic states. These data are understood most simply by using a two-fluid picture in which neutral quasiparticles—contributing little or nothing to charge transport—coexist with charged fermions. Overall, our observations of the complex field-dependent behaviour of the fermion ensemble inhabiting YbB 12 provide strong constraints for existing theoretical models.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Particle–hole asymmetric superconducting coherence peaks in overdoped cuprates

As doping increases in cuprate superconductors, the superconducting transition temperature increases to a maximum at the so-called optimal doping, and then decreases in the overdoped regime. In the past few decades, research has primarily focused on the underdoped and optimally doped regions of the phase diagram. Here, phenomena such as the pseudogap and strange metal non-superconducting states make it difficult to determine the superconducting pairing mechanism. More recently, experiments have shown unconventional behaviour in strongly overdoped cuprates, in both the normal and superconducting states. However, a real-space investigation of the unconventional superconductivity in the absence of the pseudogap is lacking, and the superconductor-to-metal phase transition in the overdoped regime remains controversial. Here we use scanning tunnelling microscopy to investigate the atomic-scale electronic structure of overdoped Bi 2 Sr 2 Ca n–1 Cu n O 2n + 4 + δ cuprates. We show that, at low energies, the spectroscopic maps are well described by dispersive d-wave quasiparticle interference patterns. However, as the bias increases to the superconducting coherence peak energy, a periodic and non-dispersive pattern emerges. The position of the coherence peaks exhibits particle–hole asymmetry that modulates with the same period. Finally, we propose that this behaviour is due to quasiparticle interference caused by pair-breaking scattering between flat antinodal Bogoliubov bands.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Unconventional gapping behaviour in a kagome superconductor

Determining the types of superconducting order in quantum materials is a challenge. This is especially true when several degrees of freedom contribute to the fermiology and when superconductivity competes with other symmetry-breaking orders. One example is the kagome-lattice superconductor CsV 3 Sb 5 , in which multiband superconductivity coexists with a charge order that substantially reduces the space group symmetries of the compound. Here we demonstrate the presence of two superconducting regimes in CsV 3 Sb 5 that are characterized by distinct transport and thermodynamic properties. Our results reveal a substantial quasiparticle weight in a high-temperature regime. At lower temperatures, this weight is removed through the formation of a second gap. We argue that the band with a gap opening at lower temperatures continues to host low-energy quasiparticles, possibly due to the nodal structure of the gap. Taken together, our results present evidence for band-selective superconductivity with uncoupled superconducting gaps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗