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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Doping evolution of the charge excitations and electron correlations in electron-doped superconducting La 2-x Ce x CuO 4

Electron correlations play a dominant role in the charge dynamics of the cuprates. We use resonant inelastic X-ray scattering (RIXS) to track the doping dependence of the collective charge excitations in electron doped La 2-x Ce x CuO 4 (LCCO). From the resonant energy dependence and the out-of-plane momentum dependence, the charge excitations are identified as three-dimensional (3D) plasmons, which reflect the nature of the electronic structure and Coulomb repulsion on both short and long lengthscales. With increasing electron doping, the plasmon excitations increase monotonically in energy, a consequence of the electron correlation effect on electron structure near the Fermi surface (FS). Importantly, the plasmon excitations evolve from a broad feature into a well-defined peak with much increased life time, revealing the evolution of the electrons from incoherent states to coherent quasi-particles near the FS. Such evolution marks the reduction of the short-range electronic correlation, and thus the softening of the Mottness of the system with increasing electron doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Evidence for topological semimetallicity in a chain-compound TaSe 3

Among one-dimensional transition-metal trichalcogenides, TaSe 3 is unconventional in many respects. One is its strong topological semimetallicity as predicted by first-principles calculations. We report the experimental investigations of the electronic properties of one-dimensional-like TaSe 3 single crystals. While the b-axis electrical resistivity shows good metallicity with a high residual resistivity ratio greater than 100, an extremely large magnetoresistance is observed reaching ≈7 × 10 3 % at 1.9 K for 14 T. Interestingly, the magnetoresistance follows the Kohler’s rule with nearly quadratic magnetic field dependence, consistent with the electron–hole compensation scenario as confirmed by our Hall conductivity data. Both the longitudinal and Hall conductivities show Shubnikov-de Haas oscillations with two frequencies: F α ≈ 97 T and F β ≈ 186 T. Quantitative analysis indicates that F α results from the two-dimensional-like electron band with the non-trivial Berry phase [1.1π], and Fβ from the hole band with the trivial Berry phase [0(3D) -0.16π(2D)]. Our experimental findings are consistent with the predictions based on first-principles calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Identification of non-Fermi liquid fermionic self-energy from quantum Monte Carlo data

Quantum Monte Carlo (QMC) simulations of correlated electron systems provide unbiased information about system behavior at a quantum critical point (QCP) and can verify or disprove the existing theories of non-Fermi liquid (NFL) behavior at a QCP. However, simulations are carried out at a finite temperature, where quantum critical features are masked by finite-temperature effects. Here, we present a theoretical framework within which it is possible to separate thermal and quantum effects and extract the information about NFL physics at T = 0. We demonstrate our method for a specific example of 2D fermions near an Ising ferromagnetic QCP. We show that one can extract from QMC data the zero-temperature form of fermionic self-energy Σ(ω) even though the leading contribution to the self-energy comes from thermal effects. We find that the frequency dependence of Σ(ω) agrees well with the analytic form obtained within the Eliashberg theory of dynamical quantum criticality, and obeys ω 2/3 scaling at low frequencies. Our results open up an avenue for QMC studies of quantum critical metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Surface Josephson plasma waves in a high-temperature superconductor

Abstract Electron density oscillations with acoustic dispersions and sustained at boundaries between different media provide information about surface and interface properties of heterostructures. In ultrathin metallic films these plasmonic excitations are heavily damped. Superconductivity is predicted to reduce dissipation allowing detection of these resonances. Emerging low-loss interface Cooper-pair waves have been studied before, however, the observation of surface-confined Josephson plasmons in highly anisotropic superconductors has remained elusive. Here, we report on generation and coupling to these excitations in an ultrathin single-crystal film of high-temperature superconductor La 1.85 Sr 0.15 CuO 4 . The film becomes brighter than Au below the critical temperature when probed with sub-gap THz photons. We show that the enhanced signal in the superconducting state, which can be visualized with a spatial resolution better than λ/3000, originates from near-field coupling of light to surface Josephson plasmons. Our results open a path towards non-invasive investigation of enhanced superconductivity in artificial multilayers, buried interface states in topological heterostructures, and non-linear phenomena in Josephson devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Coulomb blockade effects in a topological insulator grown on a high- T c cuprate superconductor

The evidence for proximity-induced superconductivity in heterostructures of topological insulators and high- T c cuprates has been intensely debated. We use molecular-beam epitaxy to grow thin films of topological insulator Bi 2 Te 3 on a cuprate Bi 2 Sr 2 CaCu 2 O 8+x , and study the surface of Bi 2 Te 3 using low-temperature scanning tunneling microscopy and spectroscopy. In few unit-cell thick Bi 2 Te 3 films, we find a V-shaped gap-like feature at the Fermi energy in d I /d V spectra. By reducing the coverage of Bi 2 Te 3 films to create nanoscale islands, we discover that this spectral feature dramatically evolves into a much larger hard gap, which can be understood as a Coulomb blockade gap. This conclusion is supported by the evolution of d I /d V spectra with the lateral size of Bi 2 Te 3 islands, as well as by topographic measurements that show an additional barrier separating Bi 2 Te 3 and Bi 2 Sr 2 CaCu 2 O 8+x . We conclude that the prominent gap-like feature in d I /d V spectra in Bi 2 Te 3 films is not a proximity-induced superconducting gap. Instead, it can be explained by Coulomb blockade effects, which take into account additional resistive and capacitive coupling at the interface. Our experiments provide a fresh insight into the tunneling measurements of complex heterostructures with buried interfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Photoinduced Dirac semimetal in ZrTe5

Abstract Novel phases of matter with unique properties that emerge from quantum and topological protection present an important thrust of modern research. Of particular interest is to engineer these phases on demand using ultrafast external stimuli, such as photoexcitation, which offers prospects of their integration into future devices compatible with optical communication and information technology. Here, we use MeV Ultrafast Electron Diffraction (UED) to show how a transient three-dimensional (3D) Dirac semimetal state can be induced by a femtosecond laser pulse in a topological insulator ZrTe 5 . We observe marked changes in Bragg diffraction, which are characteristic of bond distortions in the photoinduced state. Using the atomic positions refined from the UED, we perform density functional theory (DFT) analysis of the electronic band structure. Our results reveal that the equilibrium state of ZrTe 5 is a topological insulator with a small band gap of ~ 25 meV, consistent with angle-resolved photoemission (ARPES) experiments. However, the gap is closed in the presence of strong spin-orbit coupling (SOC) in the photoinduced transient state, where massless Dirac fermions emerge in the chiral band structure. The time scale of the relaxation dynamics to the transient Dirac semimetal state is remarkably long, τ ~ 160 ps, which is two orders of magnitude longer than the conventional phonon-driven structural relaxation. The long relaxation is consistent with the vanishing density of states in Dirac spectrum and slow spin-repolarization of the SOC-controlled band structure accompanying the emergence of Dirac fermions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Topological superconductivity in skyrmion lattices

Atomic manipulation and interface engineering techniques have provided an intriguing approach to custom-designing topological superconductors and the ensuing Majorana zero modes, representing a paradigm for the realization of topological quantum computing and topology-based devices. Magnet-superconductor hybrid (MSH) systems have proven to be experimentally suitable to engineer topological superconductivity through the control of both the complex structure of its magnetic layer and the interface properties of the superconducting surface. Here, we demonstrate that two-dimensional MSH systems containing a magnetic skyrmion lattice provide an unprecedented ability to control the emergence of topological phases. By changing the skyrmion radius, which can be achieved experimentally through an external magnetic field, one can tune between different topological superconducting phases, allowing one to explore their unique properties and the transitions between them. In these MSH systems, Josephson scanning tunneling spectroscopy spatially visualizes one of the most crucial aspects underlying the emergence of topological superconductivity, the spatial structure of the induced spin–triplet correlations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Multi-atom quasiparticle scattering interference for superconductor energy-gap symmetry determination

Complete theoretical understanding of the most complex superconductors requires a detailed knowledge of the symmetry of the superconducting energy-gap Δ$^α_k$, for all momenta k on the Fermi surface of every band α. While there are a variety of techniques for determining |Δ$^α_k$|, no general method existed to measure the signed values of Δ$^α_k$. Recently, however, a technique based on phase-resolved visualization of superconducting quasiparticle interference (QPI) patterns, centered on a single non-magnetic impurity atom, was introduced. In principle, energy-resolved and phase-resolved Fourier analysis of these images identifies wavevectors connecting all k-space regions where Δ$^α_k$ has the same or opposite sign. But use of a single isolated impurity atom, from whose precise location the spatial phase of the scattering interference pattern must be measured, is technically difficult. Here we introduce a generalization of this approach for use with multiple impurity atoms, and demonstrate its validity by comparing the Δ$^α_k$ it generates to the Δ$^α_k$ determined from single-atom scattering in FeSe where s ± energy-gap symmetry is established. Finally, to exemplify utility, we use the multi-atom technique on LiFeAs and find scattering interference between the hole-like and electron-like pockets as predicted for Δ$^α_k$ of opposite sign.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Vacancy defect control of colossal thermopower in FeSb2

Abstract Iron diantimonide is a material with the highest known thermoelectric power. By combining scanning transmission electron microscopic study with electronic transport neutron, X-ray scattering, and first principle calculation, we identify atomic defects that control colossal thermopower magnitude and nanoprecipitate clusters with Sb vacancy ordering, which induce additional phonon scattering and substantially reduce thermal conductivity. Defects are found to cause rather weak but important monoclinic distortion of the unit cell P n n m → P m . The absence of Sb along [010] for high defect concentration forms conducting path due to Fe d orbital overlap. The connection between atomic defect anisotropy and colossal thermopower in FeSb 2 paves the way for the understanding and tailoring of giant thermopower in related materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

The range of non-Kitaev terms and fractional particles in α-RuCl 3

Significant efforts have focused on the magnetic excitations of relativistic Mott insulators, predicted to realize the Kitaev quantum spin liquid (QSL). This exactly solvable model involves a highly entangled state resulting from bond-dependent Ising interactions that produce excitations which are non-local in terms of spin flips. A key challenge in real materials is identifying the relative size of the non-Kitaev terms and their role in the emergence or suppression of fractional excitations. Here, we identify the energy and temperature boundaries of non-Kitaev interactions by direct comparison of the Raman susceptibility of α-RuCl 3 with quantum Monte Carlo (QMC) results for the Kitaev QSL. Moreover, we further confirm the fractional nature of the magnetic excitations, which is given by creating a pair of fermionic quasiparticles. Interestingly, this fermionic response remains valid in the non-Kitaev range. Our results and focus on the use of the Raman susceptibility provide a stringent new test for future theoretical and experimental studies of QSLs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nonlocal Coulomb interaction and spin-freezing crossover as a route to valence-skipping charge order

Abstract Multiorbital systems away from global half-filling host intriguing physical properties promoted by Hund’s coupling. Despite increasing awareness of this regime dubbed Hund’s metal, effect of nonlocal interaction is still elusive. Here we study a three-orbital model with 1/3 filling (two electrons per site) including the intersite Coulomb interaction ( V ). Using the G W plus extended dynamical mean-field theory, the valence-skipping charge order transition is shown to be driven by V . Most interestingly, the instability to this transition is significantly enhanced in the spin-freezing crossover regime, thereby lowering the critical V to the formation of charge order. This behavior is found to be closely related to the population profile of the atomic multiplet states in the spin-freezing regime. In this regime, maximum spin states are dominant in each total charge subspace with substantial amount of one- and three-electron occupations, which leads to almost equal population of one- and the maximum spin three-electron state. Our finding unveils another feature of the Hund’s metal and has potential implications for the broad range of multiorbital systems as well as the recently discovered charge order in iron pnictides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Materializing rival ground states in the barlowite family of kagome magnets: quantum spin liquid, spin ordered, and valence bond crystal states

The spin- 1 2 kagome antiferromagnet is considered an ideal host for a quantum spin liquid ground state. We find that when the bonds of the kagome lattice are modulated with a periodic pattern, new quantum ground states emerge. Newly synthesized crystalline barlowite (Cu 4 (OH) 6 FBr) and Zn-substituted barlowite demonstrate the delicate interplay between singlet states and spin order on the spin- 1 2 kagome lattice. Comprehensive structural measurements demonstrate that our new variant of barlowite maintains hexagonal symmetry at low temperatures with an arrangement of distorted and undistorted kagome triangles, for which numerical simulations predict a pinwheel va- lence bond crystal (VBC) state instead of a quantum spin liquid (QSL). The presence of interlayer spins eventually leads to an interesting pinwheel q=0 magnetic order. Partially Zn-substituted bar- lowite (Cu 3.44 Zn 0.56 (OH) 6 FBr) has an ideal kagome lattice and shows QSL behavior, indicating a surprising robustness of the QSL against interlayer impurities. The magnetic susceptibility is simi- lar to that of herbertsmithite, even though the Cu 2+ impurities are above the percolation threshold for the interlayer lattice and they couple more strongly to the nearest kagome moment. This system is a unique playground displaying QSL, VBC, and spin order, furthering our understanding of these highly competitive quantum states.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Emergence of superconductivity in doped multiorbital Hubbard chains

Abstract We introduce a variational state for one-dimensional two-orbital Hubbard models that intuitively explains the recent computational discovery of pairing in these systems when hole doped. Our ansatz is an optimized linear superposition of Affleck–Kennedy–Lieb–Tasaki valence-bond states, rendering the combination a valence-bond liquid dubbed orbital resonant valence bond. We show that the undoped (one-electron/orbital) quantum state of two sites coupled into a global spin singlet is exactly written employing only spin-1/2 singlets linking orbitals at nearest-neighbor sites. Generalizing to longer chains defines our variational state visualized geometrically expressing our chain as a two-leg ladder, with one orbital per leg. As in Anderson’s resonating valence-bond state, our undoped variational state contains preformed singlet pairs that via doping become mobile, leading to superconductivity. Doped real materials with one-dimensional substructures, two near-degenerate orbitals, and intermediate Hubbard U / W strengths— W the carrier’s bandwidth—could realize spin-singlet pairing if on-site anisotropies are small. If these anisotropies are robust, spin-triplet pairing emerges.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Universal behavior of the bosonic metallic ground state in a two-dimensional superconductor

Anomalous metallic behavior, marked by a saturating finite resistivity much lower than the Drude estimate, has been observed in a wide range of two-dimensional superconductors. Utilizing the electrostatically gated LaAlO 3 /SrTiO 3 interface as a versatile platform for superconductor-metal quantum phase transitions, we probe variations in the gate, magnetic field, and temperature to construct a phase diagram crossing from superconductor, anomalous metal, vortex liquid, to the Drude metal state, combining longitudinal and Hall resistivity measurements. We find that the anomalous metal phases induced by gating and magnetic field, although differing in symmetry, are connected in the phase diagram and exhibit similar magnetic field response approaching zero temperature. Namely, within a finite regime of the anomalous metal state, the longitudinal resistivity linearly depends on the field while the Hall resistivity diminishes, indicating an emergent particle-hole symmetry. The universal behavior highlights the uniqueness of the quantum bosonic metallic state, distinct from bosonic insulators and vortex liquids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Orbital structure of the effective pairing interaction in the high-temperature superconducting cuprates

The nature of the effective interaction responsible for pairing in the high-temperature superconducting cuprates remains unsettled. This question has been studied extensively using the simplified single-band Hubbard model, which does not explicitly consider the orbital degrees of freedom of the relevant CuO 2 planes. Here, we use a dynamical cluster quantum Monte Carlo approximation to study the orbital structure of the pairing interaction in the three-band Hubbard model, which treats the orbital degrees of freedom explicitly. We find that the interaction predominately acts between neighboring copper orbitals, but with significant additional weight appearing on the surrounding bonding molecular oxygen orbitals. By explicitly comparing these results to those from the simpler single-band Hubbard model, our study provides strong support for the single-band framework for describing superconductivity in the cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Charge density waves in cuprate superconductors beyond the critical doping

The unconventional normal-state properties of the cuprates are often discussed in terms of emergent electronic order that onsets below a putative critical doping of x c ≈ 0.19. Charge density wave (CDW) correlations represent one such order; however, experimental evidence for such order generally spans a limited range of doping that falls short of the critical value x c , leading to questions regarding its essential relevance. Here, we use X-ray diffraction to demonstrate that CDW correlations in La 2–x Sr x CuO 4 persist up to a doping of at least x = 0.21. The correlations show strong changes through the superconducting transition, but no obvious discontinuity through x c ≈ 0.19, despite changes in Fermi surface topology and electronic transport at this doping. These results demonstrate the interaction between CDWs and superconductivity even in overdoped cuprates and prompt a reconsideration of the role of CDW correlations in the high-temperature cuprate phase diagram.

36 MATERIALS SCIENCE↗