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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Differentiated roles of Lifshitz transition on thermodynamics and superconductivity in La 2- x Sr x CuO 4

The effect of Lifshitz transition on thermodynamics and superconductivity in hole-doped cuprates has been heavily debated but remains an open question. In particular, an observed peak of electronic specific heat is proposed to originate from fluctuations of a putative quantum critical point p* (e.g., the termination of pseudogap at zero temperature), which is close to but distinguishable from the Lifshitz transition in overdoped La-based cuprates where the Fermi surface transforms from hole-like to electron-like. Here we report an in situ angle-resolved photoemission spectroscopy study of three-dimensional Fermi surfaces in La 2- x Sr x CuO 4 thin films ( x = 0.06 to 0.35). With accurate k z dispersion quantification, the said Lifshitz transition is determined to happen within a finite range around x = 0.21. Normal state electronic specific heat, calculated from spectroscopy-derived band parameters, reveals a doping-dependent profile with a maximum at x = 0.21 that agrees with previous thermodynamic microcalorimetry measurements. The account of the specific heat maximum by underlying band structures excludes the need for additionally dominant contribution from the quantum fluctuations at p* . A d -wave superconducting gap smoothly across the Lifshitz transition demonstrates the insensitivity of superconductivity to the dramatic density of states enhancement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Designing phase sensitive probes of monopole superconducting order

Distinct from familiar s-, p-, or d-wave pairings, the monopole superconducting order represents a novel class of pairing order arising from nontrivial monopole charge of the Cooper pair. In the weak-coupling regime, this order can emerge when pairing occurs between Fermi surfaces with different Chern numbers in, for example, doped Weyl semimetal systems. However, the phase of monopole pairing order is not well-defined over an entire Fermi surface, making it challenging to design experiments sensitive to both its symmetry and topology. To address this, we propose a scheme based on symmetry and topological principles to identify this elusive pairing order through a set of phase-sensitive Josephson experiments. By examining the discrepancy between global and local angular momentum of the pairing order, we can unveil the monopole charge of the pairing order, including for models with higher pair monopole charge |q p |=1,2, and 3. We demonstrate the proposed probe of monopole pairing order through analytic and numerical studies of Josephson coupling in models of monopole superconductor junctions. This work opens a promising avenue to uncover the unique topological properties of monopole pairing orders and to distinguish them from known pairing orders based on spherical harmonic symmetry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Topological Fermi-arc surface state covered by floating electrons on a two-dimensional electride

Two-dimensional electrides can acquire topologically non-trivial phases due to intriguing interplay between the cationic atomic layers and anionic electron layers. However, experimental evidence of topological surface states has yet to be verified. Here, via angle-resolved photoemission spectroscopy (ARPES) and scanning tunnelling microscopy (STM), we probe the magnetic Weyl states of the ferromagnetic electride [Gd 2 C] 2+ ·2e - . In particular, the presence of Weyl cones and Fermi-arc states is demonstrated through photon energy-dependent ARPES measurements, agreeing with theoretical band structure calculations. Notably, the STM measurements reveal that the Fermi-arc states exist underneath a floating quantum electron liquid on the top Gd layer, forming double-stacked surface states in a heterostructure. Our work thus not only unveils the non-trivial topology of the [Gd 2 C] 2+ ·2e - electride but also realizes a surface heterostructure that can host phenomena distinct from the bulk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Signatures of Cooper pair dynamics and quantum-critical superconductivity in tunable carrier bands

Different superconducting pairing mechanisms are markedly distinct in the underlying Cooper pair kinematics. Quantum-critical soft modes drive pairing interactions in which the pair scattering processes are highly collinear and can be classified into two categories: forward scattering and backscattering. Conversely, in conventional phonon mechanisms, Cooper pair scattering is of a generic noncollinear character. In this study, we present a method to discern the kinematic type by observing the evolution of superconductivity while adjusting the Fermi surface geometry. To demonstrate our approach, we utilize the recently reported phase diagrams of untwisted graphene multilayers. Our analysis connects the emergence of superconductivity at “ghost crossings” of Fermi surfaces in distinct valleys to the pair kinematics of a backscattering type. Together with the observed nonmonotonic behavior of superconductivity near its onset (sharp rise followed by a drop), it lends strong support to a particular quantum-critical superconductivity scenario in which pairing is driven by intervalley coherence fluctuations. These findings offer direct insights into the genesis of pairing in these systems, providing compelling evidence for the electron–electron interactions driving superconductivity. More broadly, our work highlights the potential of tuning bands via ghost crossings as a promising means of boosting superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Spectral function of the $J_1$ – $J_2$ Heisenberg model on the triangular lattice

Spectral probes, such as neutron scattering, are crucial for characterizing excitations in quantum many-body systems and the properties of quantum materials. Among the most elusive phases of matter are quantum spin liquids, which have no long-range order even at zero temperature and host exotic fractionalized excitations with nontrivial statistics. These phases can occur in frustrated quantum magnets, such as the paradigmatic Heisenberg model with nearest- and next-nearest-neighbor exchange interactions on the triangular lattice, the so-called $J_1$ – $J_2$ model. In this work, we compute the spectral function using large-scale matrix product state simulations across the three different phases of this model's phase diagram, including a quantum spin-liquid phase at intermediate $J_2$/$J_1$. Despite a plethora of theoretical and experimental studies, the exact nature of this phase is still contested, with the dominant candidates being a gapped $\mathbb{Z}_2$, a gapless U(1) Dirac, and a spinon Fermi surface quantum spin-liquid state. We find a V-shaped spectrum near the center of the Brillouin zone ($Γ$ point), a key signature of a spinon Fermi surface, observed in prior neutron scattering experiments. However, we find a small gap near the $Γ$ point, ruling out such a phase. Furthermore, we find localized gapless excitations at the corner of the Brillouin zone boundary (K point) and the middle of the edge of the Brillouin zone boundary (M point), ruling out the gapped $\mathbb{Z}_2$ spin-liquid phase. Here, our results imply that the intermediate spin-liquid phase is a gapless $U(1)$ Dirac spin liquid, and provide clear signatures to detect this phase in future neutron scattering experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Universal corrections to the superfluid gap in a cold Fermi gas

A framework for computing the superfluid gap in an effective field theory (EFT) of fermions interacting via momentum-independent contact forces is developed. The leading universal corrections in the EFT are one-loop in-medium effects at the Fermi surface, and reproduce the well-known Gor'kov-Melik-Barkhudarov result. Here, the complete subleading universal corrections are presented here, and include one-loop effects away from the Fermi surface, two-loop in-medium effects, as well as modifications to the fermion propagator. Together, these effects are found to reduce the gap at low densities. Applications to neutron superfluidity in neutron stars are also discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Synthesis and electronic characterization of Nd2−xSrxNiO4 thin films (0≤x≤1.4)

Layered nickelates have been studied extensively over the last three decades due to their structural similarities to the high-Tc superconducting cuprates. Using reactive oxide molecular beam epitaxy (MBE), we synthesize Nd2−xSrxNiO4 thin films for x=0−1.4 to probe the properties and electronic structure as a function of hole doping. The samples with lower doping show semiconducting behavior across the temperatures probed with an onset of metallic conductivity at x=1.4. We also present polarization-dependent O K and Ni L2,3 x-ray absorption spectra to track the evolution of the oxygen-nickel hybridization, distribution of holes between O 2p and Ni 3d states and the nickel oxidation state across the series. Angle-resolved photoemission spectroscopy (ARPES) measurements reveal a Fermi surface that comprises a cupratelike hole pocket of dx2−y2 character with an additional electron pocket of d3z2−r2 character at Γ. The emergence of a quasiparticle peak at the Fermi vector for x=1.4 corroborates the insulator-to-metal transition at x∼1. Finally, observe a fully two-dimensional Fermi surface with no momentum-dependent pseudogap, in contrast to measurements of the related bulk compound, Eu0.9Sr1.1NiO4.

Taylor, Nicole K↗
DOE OSTI2021

Striped electron fluid on (111) KTaO 3

A recent study has revealed that the low carrier density electron gas (2DEG) induced at the interface of EuO and (111) KTaO 3 exhibits a broken symmetry phase with a strong in-plane anisotropy of the resistivity. We present a minimal tight-binding model of this (111) 2DEG, including the large spin-orbit coupling from the Ta ions, which reveals a hexagonal Fermi surface with a highly enhanced 2k F electronic susceptibility. We argue that repulsive electronic interactions, together with a ferromagnetic EuO substrate, favor a magnetic stripe instability leading to a partially gapped Fermi surface. Such a stripe state, or its vestigial nematicity, could explain the observed transport anisotropy. We propose a k · p theory for the low energy j = 3/2 states, which captures the key results from our tight-binding study, and further reveals the intertwined dipolar and octupolar modulations underlying this magnetic stripe order. We conclude by speculating on the relation of this stripe order to the superconductivity seen in this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Visualization of Chiral Electronic Structure and Anomalous Optical Response in a Material with Chiral Charge Density Waves

Chiral materials have attracted significant research interests as they exhibit intriguing physical properties, such as chiral optical response, spin-momentum locking, and chiral induced spin selectivity. Recently, layered transition metal dichalcogenide 1T–TaS 2 has been found to host a chiral charge density wave (CDW) order. Nevertheless, the physical consequences of the chiral order, for example, in electronic structures and the optical properties, are yet to be explored. Here, we report the spectroscopic visualization of an emergent chiral electronic band structure in the CDW phase, characterized by windmill-shaped Fermi surfaces. Further, we uncover a remarkable chirality-dependent circularly polarized Raman response due to the salient in-plane chiral symmetry of CDW, although the ordinary circular dichroism vanishes. Chiral Fermi surfaces and anomalous Raman responses coincide with the CDW transition, proving their lattice origin. Our Letter paves a path to manipulate the chiral electronic and optical properties in two-dimensional materials and explore applications in polarization optics and spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Evidence for quantum spin liquid behaviour in single-layer 1T-TaSe 2 from scanning tunnelling microscopy

Two-dimensional triangular-lattice antiferromagnets are predicted under some conditions to exhibit a quantum spin liquid ground state with no energy barrier to create emergent, fractionalized spinon excitations that carry spin but no charge. Materials that realize this kind of spin liquid are expected to have a low-energy behaviour described by a spinon Fermi surface. Directly imaging the resulting spinons, however, is difficult due to their chargeless nature. In this work, we use scanning tunnelling spectroscopy to image density waves consistent with the predictions of spinon density modulation arising from a spinon Fermi surface instability in single-layer 1T-TaSe 2 . We confirm the existence of a triangular lattice of localized spins in this material by contacting it with a metallic 1H-TaSe 2 substrate and measuring the Kondo effect. Spectroscopic imaging of isolated single-layer 1T-TaSe 2 reveals long-wavelength super-modulations at Hubbard band energies, consistent with the predicted behaviour of itinerant spinons. These super-modulations allow the direct experimental measurement of the spinon Fermi wavevector, in good agreement with theoretical predictions for a two-dimensional quantum spin liquid.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Chiral kinematic theory and converse vortical effects

Response theories in condensed matter typically describe the response of an electron fluid to external electromagnetic fields, while perturbations on neutral particles are often designed to mimic such fields. Here, we study the response of fermions to a space-time-dependent velocity field, thereby sidestepping the issue of gauge charge. First, we use a semiclassical chiral kinematic theory to obtain the local density of current and extract the orbital magnetization. The theory immediately predicts a "converse vortical effect," defined as an orbital magnetization driven by linear velocity. It receives contributions from magnetic moments on the Fermi surface and the Berry curvature of the occupied bands. Then, transcending semiclassics via a complementary Kubo formalism reveals that the uniform limit of a clean system receives only the Berry curvature contribution while other limits sense the Fermi surface magnetic moments too. We propose CoSi as a candidate material and suggest magnetometry of a sample under a thermal gradient to detect the effect. Overall, our study sheds light on the effects of a space-time-dependent velocity field on electron fluids and paves the way for exploring quantum materials using new probes and perturbations.

Chen, Kai↗
DOE OSTI2024

Unconventional superconductivity near a nematic instability in a multi-orbital system

Abstract We analyze superconductivity in a multi-orbital fermionic system near the onset of a nematic order, using doped FeSe as an example. We associate nematicity with spontaneous polarization between d xz and d yz orbitals. We derive pairing interaction, mediated by soft nematic fluctuations, and show that it is attractive, and its strength depends on the position on the Fermi surface. As the consequence, right at the nematic quantum-critical point (QCP), superconducting gap opens up at T c only at special points and extends into finite arcs at T < T c . In between the arcs the Fermi surface remains intact. This leads to highly unconventional behavior of the specific heat, with no jump at T c and seemingly finite offset at T = 0. We discuss gap structure and pairing symmetry away from a QCP and compare nematic and spin-fluctuation scenarios. We apply the results to FeSe 1− x S x and FeSe 1− x Te x .

Materials Science↗
DOE OSTI2023

Superconductivity and magnetic and transport properties of single-crystalline CaK ( Fe 1 – x Cr x ) 4 As 4

Members of the CaK (Fe 1–x Cr x ) 4 As 4 series have been synthesized by high-temperature solution growth in single-crystalline form and characterized by x-ray diffraction, elemental analysis, and magnetic and transport measurements. The effects of Cr substitution on the superconducting and magnetic ground states of CaKFe 4 As 4 (T c = 35 K) have been studied. These measurements show that the superconducting transition temperature decreases monotonically and is finally suppressed below 1.8 K as x is increased from 0 to 0.038. For x-values greater than 0.012, signatures of a magnetic transition can be detected in magnetic measurements with the associated features in the transport measurements becoming detectable for x ≥ 0.038. The magnetic transition temperature increases in a roughly linear manner as Cr substitution increases. A temperature-composition (T – x) phase diagram is constructed, revealing a half-dome of superconductivity with the magnetic transition temperature, T*, appearing near 22 K for x ~ 0.017 and rising slowly up to 60 K for x ~ 0.077. The T – x phase diagrams for CaK (Fe 1–x T x ) 4 As 4 for T = Cr and Mn are essentially the same despite the nominally different band filling; this is in marked contrast to T = Co and Ni series for which the T – x diagrams scale by a factor of 2, consistent with the different changes in band filling Co and Ni would produce when replacing Fe. Superconductivity of CaK (Fe 1–x Cr x ) 4 As 4 is also studied as a function of magnetic field. A clear change in $H^{'}_{c2}$ (T)/T c , where $H^{'}_{c2}$ (T) is dH c2 (T)/dT, at x ~ 0.012 is observed and probably is related to a change of the Fermi surface due to magnetic order. Further, coherence length and the London penetration depths are also calculated based on H c1 and H c2 data. Both of them as a function of x show changes near x = 0.012, again consistent with Fermi surface changes associated with the magnetic ordering seen for higher x-values.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Superconductivity and phase diagrams of CaK(Fe 1- x Mn x ) 4 As 4 single crystals

In order to study the effects of Mn substitution on the superconducting and magnetic ground state of CaKFe 4 As 4 (T c = 35 K), members of the CaK (Fe 1–x Mn x ) 4 As 4 series have been synthesized by high-temperature solution growth in single-crystalline form and characterized by elemental analysis, thermodynamic, and transport measurements. These measurements show that the superconducting transition temperature decreases monotonically and is finally suppressed below 1.8 K as x is increased from 0 to 0.036. For x values greater than 0.016, signatures of a magnetic transition can be detected in both thermodynamic and transport measurements in which kinklike features allow for the determination of the transition temperature T* that increases as Mn substitution increases. Here, a temperature-composition (T–x) phase diagram is constructed, revealing a half-dome of superconductivity with the magnetic transition temperature T* appearing near 26 K for x ~ 0.017 and rising slowly up to 33 K for x ~ 0.036. In addition to the creation of the T–x phase diagram for CaK(Fe 1–x Mn x ) 4 As 4 , specific-heat data are used to track the jump in specific heat at T c ; the CaK(Fe 1–x Mn x ) 4 As 4 data do not follow the scaling of ΔC p with $T$$^{3}_{c}$ as many of the other Fe-based superconducting systems do. These data suggest that, as magnetic pair breaking is present, the jump in C p for a given T c is reduced. Elastoresistivity coefficients 2m 66 and m 11 – m 12 as a function of temperature are also measured. 2m 66 and m 11 – m 12 are qualitatively similar to CaK(Fe 1–x Ni x ) 4 As 4 . This may indicate that the magnetic order in Mn-substituted system may be still the same as CaK(Fe 1–x Mn x ) 4 As 4 . Superconductivity of CaK(Fe 1–x Mn x ) 4 As 4 is also studied as a function of magnetic field. A clear change in H' c2 (T)/T c , where H' c2 (T) is dH' c2 (T)/dT, at x ~ 0.015 is observed and probably is related to change of the Fermi surface due to magnetic order. Coherence lengths and the London penetration depths are also calculated based on H c1 and H c2 data. Coherence lengths as the function of x also show the changes near x = 0.015, again consistent with Fermi-surface changes associated with the magnetic ordering seen for higher-x values.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Origin of the quasi-quantized Hall effect in ZrTe 5

The quantum Hall effect (QHE) is traditionally considered to be a purely two-dimensional (2D) phenomenon. Recently, however, a three-dimensional (3D) version of the QHE was reported in the Dirac semimetal ZrTe 5 . It was proposed to arise from a magnetic-field-driven Fermi surface instability, transforming the original 3D electron system into a stack of 2D sheets. Here, we report thermodynamic, spectroscopic, thermoelectric and charge transport measurements on such ZrTe 5 samples. The measured properties: magnetization, ultrasound propagation, scanning tunneling spectroscopy, and Raman spectroscopy, show no signatures of a Fermi surface instability, consistent with in-field single crystal X-ray diffraction. Instead, a direct comparison of the experimental data with linear response calculations based on an effective 3D Dirac Hamiltonian suggests that the quasi-quantization of the observed Hall response emerges from the interplay of the intrinsic properties of the ZrTe 5 electronic structure and its Dirac-type semi-metallic character.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Topological Singularity Induced Chiral Kohn Anomaly in a Weyl Semimetal

The electron-phonon interaction (EPI) is instrumental in a wide variety of phenomena in solid-state physics, such as electrical resistivity in metals, carrier mobility, optical transition, and polaron effects in semiconductors, lifetime of hot carriers, transition temperature in BCS superconductors, and even spin relaxation in diamond nitrogen-vacancy centers for quantum information processing. However, due to the weak EPI strength, most phenomena have focused on electronic properties rather than on phonon properties. One prominent exception is the Kohn anomaly, where phonon softening can emerge when the phonon wave vector nests the Fermi surface of metals. In this paper, we report a new class of Kohn anomaly in a topological Weyl semimetal (WSM), predicted by field-theoretical calculations, and experimentally observed through inelastic x-ray and neutron scattering on WSM tantalum phosphide. Compared to the conventional Kohn anomaly, the Fermi surface in a WSM exhibits multiple topological singularities of Weyl nodes, leading to a distinct nesting condition with chiral selection, a power-law divergence, and non-negligible dynamical effects. Our work brings the concept of the Kohn anomaly into WSMs and sheds light on elucidating the EPI mechanism in emergent topological materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

One-Dimensional Electron Gas Confined along Nanowrinkles in a Unidirectional Charge Density Wave Material

Two-dimensional (2D) materials inherently exhibit instabilities. Structurally, this may lead to modulations along the third dimension, e.g., wrinkles. Electronically, 2D instabilities can manifest themselves as charge density waves (CDWs). Although wrinkles can alter anisotropic electronic structures susceptible to forming CDWs, less is known about their impact on broken-symmetry ground states. Here, in this study, using scanning tunneling microscopy and spectroscopy, we investigate the CDW states on the wrinkled surface of DyTe 3 . We identify elongated, parallel nanoscale wrinkles stabilized by ribbon-shaped defects. Interestingly, the CDW order persists across the nanowrinkles with a gradual phase shift but is locally suppressed near the defects, where phase windings occur. In addition, these defects induce quantum confinement effects along the nanowrinkles, indicating the presence of one-dimensional metallic states with hole- like dispersion, while angle-resolved photoemission spectroscopy identifies a gap along the wrinkle direction. We ascribe this discrepancy to strain-induced changes in the Fermi surface, which lead to the closure of the gap at the sites of the nanowrinkles. Taken together, our results underscore the complex interplay between structural features and Fermi surface topology, allowing for the deliberate manipulation of quantum states in strongly correlated systems via local crystal deformations.

nanowrinkles↗
NASA NTRS1995

Electronic structure and the van Hove singularity scenario in high-T(sub c)H(g)Ba2CuO(4+delta) superconductors

The electronic structure and the hole concentrations in the high Tc superconductor HgBa2CuO(4+delta) (delta = O, 1) has been investigated by employing a first principles full potential self-consistent LMTO method with the local density functional theory. The scalar relativistic effects have been considered. The hole concentrations of the Cu-d and O-p(x,y) orbitals are seen to be larger for the HgBaCuO5 system than those of the HgBaCuO4 solid. However, the van Hove singularity (vHs) induced Cu-d and O-p peak which is seen to lie comparatively away and above the Fermi level in the delta = 1 system shifts towards the Fermi level in the delta = 0 system. Thus, the superconducting behavior appears to originate from the occurrence of the vHs peak at the Fermi level. The Fermi surface nesting area in the delta = 0 compound is seen to be larger than in the delta = 1 compound. The calculation reveals that the increase in pressure on the crystal enhances the hole concentrations but without showing any optimum value, On the other hand, the vHs peak approaches to-wards the Fermi level with pressure and crosses the Fermi surface near V/Vo approximately equals 0.625 (V and Vo are the crystal volumes at high and normal pressures, respectively). Our calculated value of the bulk modulus equal to 0.626 Mbar predicts the occurrence of this crossover at about 24 GPa which is in complete agreement with the experimental value. At this pressure the compound has maximum nesting area and self-doped behavior.

Agrawal, Bal K.↗