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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Impurity effects on local electronic structure of twisted bilayer cuprates

It has been recently proposed that a fully gapped d-wave superconducting phase emerges in twisted bilayer cuprates when twist angle is in the vicinity of 45°. By considering a twisted bilayer model with a moiré cell, we study the local electronic structure around a single-site impurity and impurity dimer in both topologically trivial and nontrivial superconducting states. Here we find that the topological nontrivial superconducting phase is robust against single scalar-potential impurity scattering but is very sensitive to the interlayer impurity dimer scattering, which avoids and enforces the creation of the subgap quasiparticle state. This behavior is intrinsic to the bilayer structure and topological nature, in contrast to the other types of impurities that inevitably bring subgap quasiparticle states. We expect that our results can contribute to the understanding of electronic properties of twisted bilayer cuprates systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Global phase diagram of D-wave superconductivity in the square-lattice t-J model

The Hubbard and closely related t-J models are exciting platforms for unconventional superconductivity (SC). Through state-of-the-art density matrix renormalization group calculations using the grand canonical ensemble, we address open issues regarding the ground-state phase diagram of the extended t-J model on a square lattice in the parameter regime relevant to cuprate superconductors. On large 8-leg cylinders, we demonstrate that the pure t-J model with only nearest-neighbor hoppings and superexchange interactions, for a wide range of doping ( δ = 0.1 to 0.2 ), hosts robust d-wave superconductivity possibly coexisting with weak unidirectional pair density wave. Furthermore, a small next nearest neighbor hopping t 2 suppresses pair and charge density waves, resulting in a uniform d-wave SC phase in both electron- and hole-doped cuprate model systems. Our work validates the t-J model as a proper minimum model for the emergence of superconductivity in cuprate superconductors.

Chen, Feng (ORCID:000000018196030X)↗
DOE OSTI2024

Evidence for d -wave superconductivity of infinite-layer nickelates from low-energy electrodynamics

The discovery of superconductivity in infinite-layer nickelates established another category of unconventional superconductors that shares structural and electronic similarities with cuprates. However, key issues of the superconducting pairing symmetry, gap amplitude and superconducting fluctuations are yet to be addressed. Here we utilize static and ultrafast terahertz spectroscopy to address these. We demonstrate that the equilibrium terahertz conductivity and non-equilibrium terahertz responses of an optimally Sr-doped nickelate film (superconducting transition temperature of T c = 17 K) are in line with the electrodynamics of d-wave superconductivity in the dirty limit. The gap-to-T c ratio (2Δ/k B T c ) is found to be 3.4, indicating that the superconductivity falls in the weak coupling regime. In addition, we observed substantial superconducting fluctuations near T c that do not extend into the deep normal state as the optimally hole-doped cuprates do. In conclusion, our results support a d-wave system that closely resembles the electron-doped cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Identification of a nematic pair density wave state in Bi 2 Sr 2 CaCu 2 O 8+x

Electron-pair density wave (PDW) states are now an intense focus of research in the field of cuprate correlated superconductivity. PDWs exhibit periodically modulating superconductive electron pairing that can be visualized directly using scanned Josephson tunneling microscopy (SJTM). Although from theory, intertwining the d-wave superconducting (DSC) and PDW order parameters allows a plethora of global electron-pair orders to appear, which one actually occurs in the various cuprates is unknown. In this work, we use SJTM to visualize the interplay of PDW and DSC states in Bi 2 Sr 2 CaCu 2 O 8+x at a carrier density where the charge density wave modulations are virtually nonexistent. Simultaneous visualization of their amplitudes reveals that the intertwined PDW and DSC are mutually attractive states. Then, by separately imaging the electron-pair density modulations of the two orthogonal PDWs, we discover a robust nematic PDW state. Its spatial arrangement entails Ising domains of opposite nematicity, each consisting primarily of unidirectional and lattice commensurate electron-pair density modulations. Further, we demonstrate by direct imaging that the scattering resonances identifying Zn impurity atom sites occur predominantly within boundaries between these domains. This implies that the nematic PDW state is pinned by Zn atoms, as was recently proposed [Lozano et al., Phys. Rev. B 103, L020502 (2021)]. Taken in combination, these data indicate that the PDW in Bi 2 Sr 2 CaCu 2 O 8+x is a vestigial nematic pair density wave state [Agterberg et al. Phys. Rev. B 91, 054502 (2015); Wardh and Granath arXiv:2203.08250].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Skyrmion superconductivity: DMRG evidence for a topological route to superconductivity

It was recently suggested that the topology of magic-angle twisted bilayer graphene's (MATBG) flat bands could provide a novel mechanism for superconductivity distinct from both weakly coupled BCS theory and the d-wave phenomenology of the high-T c cuprates. In this work, we examine this possibility using a density matrix renormalization group (DMRG) study of a model which captures the essential features of MATBG's symmetry and topology. Here, using large-scale cylinder-DMRG calculations to obtain the ground state and its excitations as a function of the electron doping, we find clear evidence for superconductivity driven by the binding of electrons into charge-2e skyrmions. Remarkably, this binding is observed even in the regime where the unscreened Coulomb repulsion is by far the largest energy scale, demonstrating the robustness of this topological, all-electronic pairing mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

ARPES detection of superconducting gap sign in unconventional superconductors

The superconducting gap symmetry is crucial in understanding the underlying superconductivity mechanism. Angle-resolved photoemission spectroscopy (ARPES) has played a key role in determining the gap symmetry in unconventional superconductors. However, it has been considered so far that ARPES can only measure the magnitude of the superconducting gap but not its phase; the phase has to be detected by other phase-sensitive techniques. Here we propose a method to directly detect the superconducting gap sign by ARPES. This method is successfully validated in a cuprate superconductor Bi 2 Sr 2 CaCu 2 O 8+δ with a well-known d-wave gap symmetry. When two bands have a strong interband interaction, the resulted electronic structures in the superconducting state are sensitive to the relative gap sign between the two bands. Our present work provides an approach to detect the gap sign and can be applied to various superconductors, particularly those with multiple orbitals like the iron-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Pairing properties of the $t$–$t$'–$t$"–$J$ model

We study the pairing properties of the two-dimensional t–t'–t"–J model, where t' and t" are second and third neighbor hoppings, at a doping level x ≈ 0.1. Recent studies of the t–t'–J model find strong pairing for t' > 0, associated with electron doping, but an absence of pairing for t'<0, associated with hole doping. This is in contrast to the cuprates, where the highest transition temperatures appear for hole doping. Model parametrizations for the cuprates estimate a t" comparable to t', which, in principle, might fix this discrepancy. However, we find that it does not; we observe a suppression of pairing for the hole-doped system (t' < 0,t" > 0), while for the electron-doped system (t' > 0,t" < 0) d-wave pairing is robust. As a result, extended hoppings appear to be insufficient to make the one-band t–t'–J model capable of describing the pairing in the hole-doped system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Altermagnetism from coincident Van Hove singularities: application to κ -Cl

Realizing two-dimensional (2D) altermagnets is important for spintronics applications. Here we propose a microscopic template for stabilizing 2D altermagnetism through Van Hove singularities that are coincident in both energy and momentum. These coincident Van Hove singularities are a generic consequence of non-symmorphic symmetries in nine 2D space groups. Due to nontrivial symmetry properties of the Hamiltonian, these coincident Van Hove singularities allow new hopping interactions between the Van Hove singularities that do not appear in analogous Van Hove singularity based patch models for cuprates and graphene. We show these new interactions can give rise to various weak coupling, and BCS-based instabilities, including altermagnetism, nematicity, inter-band d-wave superconductivity, and orbital altermagnetic order. We apply our results to quasi-2D organic κ -Cl in which altermagnetism is known to appear.

electronic properties and materials↗
DOE OSTI2024

Emergent normal fluid in the superconducting ground state of overdoped cuprates

The microscopic mechanism for the disappearance of superconductivity in overdoped cuprates is still under heated debate. Here we use scanning tunneling spectroscopy to investigate the evolution of quasiparticle interference phenomenon in Bi 2 Sr 2 CuO 6+δ over a wide range of hole densities. We find that when the system enters the overdoped regime, a peculiar quasiparticle interference wavevector with arc-like pattern starts to emerge even at zero bias, and its intensity grows with increasing doping level. Its energy dispersion is incompatible with the octet model for d-wave superconductivity, but is highly consistent with the scattering interference of gapless normal carriers. The gapless quasiparticles are mainly located near the antinodes and are independent of temperature, consistent with the disorder scattering mechanism. We propose that a branch of normal fluid emerges from the pair-breaking scattering between flat antinodal bands in the quantum ground state, which is the primary cause for the reduction of superfluid density and suppression of superconductivity in overdoped cuprates.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of realistic out-of-plane dopant potentials on the superfluid density of overdoped cuprates

Recent experimental papers on hole-doped overdoped cuprates have argued that a series of observations showing unexpected behavior in the superconducting state imply the breakdown of the quasiparticle-based Landau–BCS paradigm in that doping range. In contrast, some of the present authors have argued that a phenomenological “dirty d-wave” theoretical analysis explains essentially all aspects of thermodynamic and transport properties in the superconducting state, provided the unusual effects of weak, out-of-plane dopant impurities are properly accounted for. Here we attempt to place this theory on a more quantitative basis by performing ab initio calculations of dopant impurity potentials for LSCO and Tl-2201. These potentials are more complex than the pointlike impurity models considered previously, and require calculation of forward scattering corrections to transport properties. Including realistic, ARPES-derived band structures, Fermi liquid renormalizations, and vertex corrections, we show that the theory can explain semiquantitatively the unusual superfluid density measurements of the two most studied overdoped materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Emergent Superconductivity and Competing Charge Orders in Hole-Doped Square-Lattice t – J Model

The square-lattice Hubbard and closely related t-J models are considered as basic paradigms for understanding strong correlation effects and unconventional superconductivity (SC). Recent large-scale density matrix renormalization group simulations on the extended t-J model have identified d-wave SC on the electron-doped side (with the next-nearest-neighbor hopping t 2 > 0) but a dominant charge density wave (CDW) order on the hole-doped side (t 2 < 0), which is inconsistent with the SC of hole-doped cuprate compounds. We re-examine the ground-state phase diagram of the extended t-J model by employing the state-of-the-art density matrix renormalization group calculations with much enhanced bond dimensions, allowing more accurate determination of the ground state. On six-leg cylinders, while different CDW phases are identified on the hole-doped side for the doping range δ = 1/16 – 1/8, a SC phase emerges at a lower doping regime, with algebraically decaying pairing correlations and d-wave symmetry. On the wider eight-leg systems, the d-wave SC also emerges on the hole-doped side at the optimal 1=8 doping, demonstrating the winning of SC over CDW by increasing the system width. Furthermore, our results not only suggest a new path to SC in general t-J model through weakening the competing charge orders, but also provide a unified understanding on the SC of both hole- and electron-doped cuprate superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Majorana bound states in a d -wave superconductor planar Josephson junction

We study phase-controlled planar Josephson junctions comprising a two-dimensional electron gas with strong spin-orbit coupling and d-wave superconductors, which have an advantage of a high critical temperature. We show that a region between the two superconductors can be tuned into a topological state by the in-plane Zeeman field, and can host Majorana bound states. The phase diagram as a function of the Zeeman field, chemical potential, and the phase difference between superconductors exhibits the appearance of Majorana bound states for a wide range of parameters. We further investigate the behavior of the topological gap and its dependence on the type of d-wave pairing, i.e., d, d+is, or d+id', and note the difficulties that can arise due to the presence of gapless excitations in pure d-wave superconductors. On the other hand, the planar Josephson junctions based on superconductors with d+is and d+id' pairings can potentially lead to realizations of Majorana bound states. Furthermore, our proposal can be realized in cuprate superconductors, e.g., in a twisted bilayer, combined with the layered semiconductor Bi 2 O 2 Se.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Pair density wave in the doped three-band Hubbard model on two-leg square cylinders

A pair density wave (PDW) is a superconducting (SC) state with a spatially modulated order parameter. Although much is known about the properties of the PDW state, its realization in microscopic models with divergent susceptibility has been challenging. Here, in this work, we report a density-matrix renormalization group study of a three-band Hubbard model (also known as the Emery model) for cuprates on long two-leg square cylinders. Upon light doping, we find that the ground state of the system is consistent with that of a PDW state with mutually commensurate and power-law SC, charge (CDW), and spin (SDW) density wave correlations. The SC correlations are dominant between neighboring Cu sites with d-wave pairing symmetry. Interestingly, we find that the near-neighbor interactions, especially the near-neighbor attractive V pd interaction between neighboring Cu and oxygen sites, can notably enhance the SC correlations while simultaneously suppressing the CDW correlations. For a modestly strong attractive V pd , the SC correlations become quasi-long-ranged with a divergent PDW susceptibility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Testing for pair density wave order in La 1.875 Ba 0.125 CuO 4

We report charge order is commonly believed to compete with superconducting order. An intertwined form of a superconducting wave function, known as pair density wave (PDW) order, has been proposed; however, direct evidence, theoretical or experimental, that it forms the ground state of any cuprate superconductor is lacking. As a test case, we consider La 2-x Ba x CuO 4 with x = 1/8, where charge and spin stripe orders within the CuO 2 planes compete with three-dimensional superconducting order. We report measurements of the superconducting critical current perpendicular to the planes in the presence of an in-plane magnetic field. The variation of the critical current with orientation of the field is inconsistent with a theoretical prediction specific to the PDW model. It appears, instead, that the orientation dependence of the critical-current density might be determined by a minority phase of d-wave superconductivity that is present as a consequence of doped-charge inhomogeneity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

BCS-BEC crossover driven by small Fermi pockets of a high- T c cuprate superconductor

Fermi arcs observed in underdoped cuprates have sparked debate over whether they represent segments of a large Fermi surface or small Fermi pockets. This ambiguity has long hindered their classification as either the conventional Bardeen-Cooper-Schrieffer (BCS) regime or the strongly coupled Bose-Einstein condensation (BEC) crossover limit. Here, using angle-resolved photoemission spectroscopy and quantum oscillations, we demonstrate the coexistence of a small Fermi pocket and a large superconducting gap in the clean inner CuO 2 layers of the four-layer cuprate Ba 2 Ca 3 Cu 4 O 8 (F,O) 2 . This coexistence constitutes a hallmark of the BCS-BEC crossover and has remained elusive for decades. Despite the presence of antiferromagnetic (AF) order, the superconducting gap in the small pocket is remarkably large, yielding a gap-to-Fermi energy ratio (Δ pocket /ε F ~ 0.6) and a critical-to-Fermi temperature ratio (T c /T F ~ 0.13) that reach the theoretical upper bound for two-dimensional superconductivity. Unexpectedly, this BCS-BEC crossover emerges not as the carrier density decreases but as it increases, abruptly within a narrow doping range of less than 1%. These results provide a long-sought microscopic foundation for the d-wave pairing mechanism in doped AF-Mott insulators.

Jeong, Junhyeok [University of Tokyo, Kashiwa (Jap↗
DOE OSTI2023

Non-Centrosymmetric Sr 2 IrO 4 Obtained Under High Pressure

Sr 2 IrO 4 with strong spin-orbit coupling (SOC) and Hubbard repulsion (U) hosts Mott insulating states. The similar crystal structure, magnetic and electronic properties, particularly the d-wave gap observed in Sr 2 IrO 4 enhanced the analogies to cuprate high-$T_c$ superconductor, La 2 CuO 4 . The incomplete analogy was due to the lack of broken inversion symmetry phases observed in Sr 2 IrO 4 . Here, under high pressure and high temperature conditions, we report a non-centrosymmetric Sr 2 IrO 4 . The crystal structure and its noncentrosymmetric character were determined by single crystal X-ray diffraction and high-resolution scanning transmission electron microscopy (HR-STEM). The magnetic characterization confirms the Ir 4+ with $\textit{S}$ = 1/2 at low temperature in Sr 2 IrO 4 with magnetic ordering occurred at around 86 K, where a larger moment is observed than the ambient pressure Sr 2 IrO 4 . Moreover, the resistivity measurement shows three-dimensional Mott variable-range hopping existed in the system. Further, this non-centrosymmetric Sr 2 IrO 4 phase appears to be a unique material to offer further understanding of high-$T_c$ superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Electron-hole symmetry in quasiparticle spectral weight of cuprates observed via infrared and photoemission spectroscopy

Here we performed an optical spectroscopy study of single crystals of Pr 0.85 LaCe 0.15 CuO 4–δ (PLCCO) to revisit the electron-hole asymmetry, which has been understood as a fundamental property of cuprates. Four differently annealed samples—as-grown, reduced, optimally oxygenated, and overoxygenated samples—were prepared, which have superconducting transition temperatures T c = 0, 15, 24, and 18 K, respectively. We observed that the low-energy quasiparticle spectral weights of all the PLCCO samples are significantly small in comparison with those of other electron-doped cuprate families. Instead, they are rather close to those of their hole-doped counterpart La 2–x Sr x CuO 4 . Accordingly, estimated effective carrier numbers N eff per Cu atom of superconducting samples are also very small, despite their relatively high critical temperatures. A complementary photoemission study reveals that the low-energy quasiparticle spectral weight of PLCCO is much smaller than that of Nd 1.85 Ce 0.15 CuO 4–δ , consistent with the optical results. Our observations demonstrate that PLCCO provides the electron-hole symmetry in the quasiparticle spectral weight and highlight the importance of Cu 3d–O 2p hybridization to understand the low-energy spectral weight transfer in doped cuprates.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Vortex-State Complex Hall Conductivity of Superconducting YBa2Cu3O7 Epitaxial Films at Radio Frequencies

The first intermediate-frequency measurements of the vortex-state complex Hall conductivity \sigma_xy of YBa_2CU_3O_7 superconducting epitaxial films are reported. A direct transport measurement technique from dc to 7 MHz was used. The results are analyzed in terms of a phenomenological model, generalized from that for the dc Hall conductivity, with the assumptions that: 1) the sign reversal in the vortex-state Hall conductivity is associated with the different carrier densities within and far away from the vortex cores; 2) the Drude approximation Is applicable; and 3) the anomalous sign reversal occurs in the flux-flow Limit. The temperature, frequency, and magnetic field (B) dependencies of our \sigma_xy data are in good agreement with the model. The B-dependence of \sigma_xy reveals that both vortices (\sigma_xyAv \propto BA-1) and quasiparticles (sigma_xyAq \propto B) contribute to the vortex-state Hall conduction. The magnitude of the real part of \sigma_xy, \sigma_xyA\prime, is in good agreement with our model, while that of the imaginary part, \sigma_xyA\prime \prime, is significantly Luger than the theoretical prediction. This may be attributed to the unconventional electronic structures in the vortex core of cuprate superconductors with d-wave or mixed pairing symmetries.

Beam, D. A.↗