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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Orbital Selectivity in Electron Correlations and Superconducting Pairing of Iron-Based Superconductors

Electron correlations play a central role in iron-based superconductors. In these systems, multiple Fe 3 d -orbitals are active in the low-energy physics, and they are not all degenerate. For these reasons, the role of orbital-selective correlations has been an active topic in the study of the iron-based systems. In this article, we survey the recent developments on the subject. For the normal state, we emphasize the orbital-selective Mott physics that has been extensively studied, especially in the iron chalcogenides, in the case of electron filling n ∼ 6 . In addition, the interplay between orbital selectivity and electronic nematicity is addressed. For the superconducting state, we summarize the initial ideas for orbital-selective pairing and discuss the recent explosive activities along this direction. We close with some perspectives on several emerging topics. These include the evolution of the orbital-selective correlations, magnetic and nematic orders, and superconductivity as the electron filling factor is reduced from 6 to 5, as well as the interplay between electron correlations and topological band structure in iron-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

First-Principles Assessment of ZnTe and CdSe as Prospective Tunnel Barriers at the InAs/Al Interface

Majorana zero modes are predicted to emerge in semiconductor/ superconductor interfaces, such as InAs/Al. Majorana modes could be utilized for fault tolerant topological qubits. However, their realization is hindered by materials challenges. The coupling between the superconductor and the semiconductor may be too strong for Majorana modes to emerge, due to effective doping of the semiconductor by the metallic contact. This could be mediated by adding a tunnel barrier of controlled thickness. We use density functional theory (DFT) with Hubbard U corrections, whose values are machine-learned via Bayesian optimization (BO), to assess ZnTe and CdSe as prospective tunnel barriers for the InAs/Al interface. The results of DFT +U(BO) for ZnTe are validated by comparison to angle resolved photoemission spectroscopy (ARPES). We then study bilayer interfaces of the three semiconductors with each other and with Al, as well as trilayer interfaces with a varying number of ZnTe or CdSe layers inserted between InAs and Al. We find that 16 atomic layers of either material completely insulate the InAs from metal induced gap states (MIGS). However, ZnTe and CdSe differ significantly in their band alignment, such that ZnTe forms an effective barrier for electrons, whereas CdSe forms a barrier for holes. Because of Fermi level pinning in the conduction band at the interface, only electron transport is relevant for InAs-based Majorana devices. Therefore, ZnTe is the better choice. Based on the results of our simulations, we suggest conducting experiments with ZnTe barriers in the thickness range of 6–18 atomic layers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Uniform Diffusion of Cooper Pairing Mediated by Hole Carriers in Topological Sb 2 Te 3 /Nb

Spin-helical Dirac Fermions at a doped topological insulator’s boundaries can support Majorana quasiparticles when coupled with s-wave superconductors, but in n-doped systems, the requisite induced Cooper pairing in topological states is often buried at heterointerfaces or complicated by degenerate coupling with bulk conduction carriers. Rarely probed are p-doped topological structures with nondegenerate Dirac and bulk valence bands at the Fermi level, which may foster long-range superconductivity without sacrificing Majorana physics. Using ultrahigh-resolution photoemission, we report proximity pairing with a large decay length in p-doped topological Sb 2 Te 3 on superconducting Nb. Despite no momentum-space degeneracy, the topological and bulk states of Sb 2 Te 3 /Nb exhibit the same isotropic superconducting gaps at low temperatures. Furthermore, our results unify principles for realizing accessible pairing in Dirac Fermions relevant to topological superconductivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Spin-singlet topological superconductivity in the attractive Rashba-Hubbard model

Fully gapped, spin-singlet superconductors with antisymmetric spin-orbit coupling in a Zeeman magnetic field provide a promising route to realize superconducting states with non-Abelian topological order and therefore fault-tolerant quantum computation. Here we use a quantum Monte Carlo dynamical cluster approximation to study the superconducting properties of a doped two-dimensional attractive Hubbard model with Rashba spin-orbit coupling in a Zeeman magnetic field. We generally find that the Rashba coupling has a beneficial effect towards s-wave superconductivity. In the presence of a finite Zeeman field, when superconductivity is suppressed by Pauli pair breaking, the Rashba coupling counteracts the spin imbalance created by the Zeeman field by mixing the spins, and thus restores superconductivity at finite temperatures. Further, we show that this favorable effect of the spin-orbit coupling is traced to a spin-flip driven enhancement of the amplitude for the propagation of a pair of electrons in time-reversed states. Moreover, by inspecting the Fermi surface of the interacting model, we show that for sufficiently large Rashba coupling and Zeeman field, the superconducting state is expected to be topologically nontrivial.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Probing topological quantum matter with scanning tunnelling microscopy

The search for topological phases of matter is evolving towards strongly interacting systems, including magnets and superconductors, where exotic effects emerge from the quantum-level interplay between geometry, correlation and topology. Over the past decade or so, scanning tunnelling microscopy has become a powerful tool to probe and discover emergent topological matter, because of its unprecedented spatial resolution, high-precision electronic detection and magnetic tunability. Scanning tunnelling microscopy can be used to probe various topological phenomena, as well as complement results from other techniques. We discuss some of these proof-of-principle methodologies applied to probe topology, with particular attention to studies performed under a tunable vector magnetic field, which is a relatively new direction of recent focus. Finally, we then project the future possibilities for atomic-resolution tunnelling methods in providing new insights into topological matter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Frieze charge-stripes in a correlated kagome superconductor

In kagome metals, geometric frustration, electronic correlations and band topology combine to produce a wide range of intriguing phenomena. Among them, CsCr$_3$Sb$_5$ offers an opportunity to investigate unconventional superconductivity in a strongly correlated kagome system, with indications of frustrated magnetism and quantum criticality. Here, we demonstrate a cascade of density-wave transitions with distinct symmetries in bulk single crystals of CsCr$_3$Sb$_5$. Using spectroscopic imaging scanning tunneling microscopy, we uncover a unidirectional density wave that breaks all mirror symmetries -- resembling a chiral density wave -- but that also retains a mirror glide symmetry. We refer to this as a frieze charge stripe order phase, as its symmetry properties correspond to one of the fundamental frieze symmetry groups. A combination of high-resolution imaging, Fourier analysis and theoretical simulations reveal the key role of sublattice degrees of freedom in stabilizing this phase, characterized by internal chiral textures of opposite handedness. These findings suggest that superconductivity in CsCr$_3$Sb$_5$ emerges from this distinct density wave state and provide fresh insight into realizing electronic phases governed by frieze symmetry groups in quantum materials.

Cheng, Siyu [Boston College, Chestnut Hill, MA (Un↗
DOE OSTI2023

Differences in the resistive and thermodynamic properties of the single crystalline chiral superconductor candidate SrPtAs

The locally noncentrosymmetric superconductor SrPtAs is proposed to host a topological chiral d-wave state, but experimental reports have been limited to polycrystalline samples. Here we report the synthesis of single crystalline SrPtAs grown from Pb flux. SrPtAs crystallizes in the hexagonal space group P⁢6 3 /mmc with lattice parameters a=4.2445⁢(4) Å and c=8.9513⁢(18) Å. Additionally, magnetic susceptibility and electrical resistivity measurements reveal a superconducting transition at T c ~2.2 K, in agreement with previous reports on polycrystalline samples. Surprisingly, heat capacity data show only a small bulk transition at 0.7 K. We discuss the possible origins of the discrepancy between the various measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Evidence for dispersing 1D Majorana channels in an iron-based superconductor

The possible realization of Majorana fermions as quasiparticle excitations in condensed-matter physics has created much excitement. Most studies have focused on Majorana bound states; however, propagating Majorana states with linear dispersion have also been predicted. Here, we report scanning tunneling spectroscopic measurements of crystalline domain walls (DWs) in FeSe 0.45 Te 0.55 . We located DWs across which the lattice structure shifts by half a unit cell. These DWs have a finite, flat density of states inside the superconducting gap, which is a hallmark of linearly dispersing modes in one dimension. This signature is absent in DWs in the related superconductor, FeSe, which is not in the topological phase. Our joint data are consistent with the observation of dispersing Majorana states at a π-phase shift DW in a proximitized topological material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Charged skyrmions and topological origin of superconductivity in magic-angle graphene

Topological solitons, a class of stable nonlinear excitations, appear in diverse domains as in the Skyrme model of nuclear forces. Here, we argue that similar excitations play an important role in a remarkable material obtained on stacking and twisting two sheets of graphene. Close to a magic twist angle, insulating behavior is observed, which gives way to superconductivity on doping. Here, we propose a unifying description of both observations. A symmetry breaking condensate leads to the ordered insulator, while topological solitons in the condensate—skyrmions—are shown to be charge 2 e bosons. Condensation of skyrmions leads to a superconductor, whose physical properties we calculate. More generally, we show how topological textures can mitigate Coulomb repulsion and provide a previously unexplored route to superconductivity. Our mechanism not only clarifies why several other moiré materials do not show superconductivity but also points to unexplored platforms where robust superconductivity is anticipated.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Field Induced Density Wave in a Kagome Superconductor

On the kagome lattice, electrons benefit from the simultaneous presence of band topology, flat electronic bands, and Van Hove singularities, forming competing or cooperating orders. Understanding the interrelation between these distinct order parameters remains a significant challenge, leaving much of the associated physics unexplored. In the kagome superconductor KV 3 Sb 5 , which exhibits a charge density wave (CDW) state below T ≃ 78 K, we uncover an unpredicted field-induced phase transition below 6 K. The observed transition is marked by a hysteretic anomaly in the resistivity, nonlinear electrical transport, and a change in the symmetry of the electronic response as probed via the angular dependence of the magnetoresistivity. These observations surprisingly suggest the emergence of an unanticipated broken symmetry state coexisting with the original CDW. To understand this experimental observation, we developed a theoretical minimal model for the normal state inside the high-temperature parent CDW phase, where an incommensurate CDW order emerges as an instability subleading to superconductivity. Here, the incommensurate CDW emerges when superconducting fluctuations become fully suppressed by large magnetic fields. Our results suggest that, in kagome superconductors, quantum states can either coexist or are nearly degenerate in energy, indicating that these are rich platforms to expose new correlated phenomena.

Charge density waves↗
DOE OSTI2021

Majorana zero modes in impurity-assisted vortex of LiFeAs superconductor

The iron-based superconductor is emerging as a promising platform for Majorana zero mode, which can be used to implement topological quantum computation. One of the most significant advances of this platform is the appearance of large vortex level spacing that strongly protects Majorana zero mode from other low-lying quasiparticles. Despite the advantages in the context of physics research, the inhomogeneity of various aspects hampers the practical construction of topological qubits in the compounds studied so far. Here we show that the stoichiometric superconductor LiFeAs is a good candidate to overcome this obstacle. By using scanning tunneling microscopy, we discover that the Majorana zero modes, which are absent on the natural clean surface, can appear in vortices influenced by native impurities. Our detailed analysis reveals a new mechanism for the emergence of those Majorana zero modes, i.e. native tuning of bulk Dirac fermions. The discovery of Majorana zero modes in this homogeneous material, with a promise of tunability, offers an ideal material platform for manipulating and braiding Majorana zero modes, pushing one step forward towards topological quantum computation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Evidence for an edge supercurrent in the Weyl superconductor MoTe 2

Edge supercurrents in superconductors have long been an elusive target. Interest in them has reappeared in the context of topological superconductivity. We report evidence for the existence of a robust edge supercurrent in the Weyl superconductor molybdenum ditelluride (MoTe 2 ). In a magnetic field B , fluxoid quantization generates a periodic modulation of the edge condensate observable as a “fast-mode” oscillation of the critical current I c versus B . The fast-mode frequency is distinct from the conventional Fraunhofer oscillation displayed by the bulk supercurrent. We confirm that the fast-mode frequency increases with crystal area as expected for an edge supercurrent. In addition, weak excitation branches are resolved that display an unusual broken symmetry.

Science & Technology - Other Topics↗
DOE OSTI2024

Persistent flat band splitting and strong selective band renormalization in a kagome magnet thin film

Magnetic kagome materials provide a fascinating playground for exploring the interplay of magnetism, correlation and topology. Many magnetic kagome systems have been reported including the binary Fe m X n (X = Sn, Ge; m:n = 3:1, 3:2, 1:1) family and the rare earth RMn 6 Sn 6 (R = rare earth) family, where their kagome flat bands are calculated to be near the Fermi level in the para magnetic phase. While partially filling a kagome flat band is predicted to give rise to a Stoner-type ferromagnetism, experimental visualization of the mag netic splitting across the ordering temperature has not been reported for any of these systems due to the high ordering temperatures, hence leaving the nature of magnetism in kagome magnets an open question. Here, we probe the electronic structure with angle-resolved photoemission spectroscopy in a kagome magnet thin film FeSn synthesized using molecular beam epitaxy. We identify the exchange-split kagome flat bands, whose splitting persists above the magnetic ordering temperature, indicative of a local moment picture. Such local moments in the presence of the topological flat band are consistent with the compact molecular orbitals predicted in theory. We further observe a large spin-orbital selective band renormalization in the Fe d xy + d x 2 -y 2 spin majority channel reminiscent of the orbital selective correlation effects in the iron based superconductors. Our discovery of the coexistence of local moments with topological flat bands in a kagome system echoes similar findings in magic-angle twisted bilayer graphene, and provides a basis for theoretical effort towards modeling correlation effects in magnetic flat band systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Superconductivity and topological aspects of two-dimensional transition-metal monohalides

Two-dimensional (2D) superconducting states have attracted much recent interest, especially when they coexist with nontrivial band topology which affords a promising approach towards Majorana fermions. Using first-principles calculations, we predict van der Waals monolayered transition-metal monohalides MX (M = Zr, Mo; X = F, Cl) as a class of 2D superconductors with remarkable transition temperature (5.9–12.4 K). Anisotropic Migdal-Eliashberg theory reveals that ZrCl have a single superconducting gap Δ ~ 2.14 meV, while MoCl is a two-gap superconductor with Δ ~ 1.96 and 1.37 meV. The Z 2 band topology of 2D MX is further demonstrated that MoF and MoCl are candidates for realizing topological superconductivity. Moreover, the Dirac phonons of ZrCl and MoCl contribute w-shape phononic edge states, which are potential for an edge-enhanced electron-phonon coupling. These findings demonstrate that 2D MX offers an attractive platform for exploring the interplay between superconductivity, nontrivial electronic and phononic topology.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Effect of non-stoichiometry and pressure on superconductivity in topological semimetal PdTe

Research into topological superconductivity has been at the forefront of condensed matter physics due to both fundamental interest and potential applications in quantum computing. PdTe, is such a superconductor with a transition temperature T c ∼ 4.5 K and exhibits a nontrivial topological electronic structure, thus receiving significant attention. We report an experimental and theoretical investigation of the pressure effect on superconductivity by applying chemical non-stoichiometry and hydrostatic pressure. While T c decreases with increasing pressure through electrical resistivity, magnetization, and specific heat measurements, chemical pressure has a distinct impact from hydrostatic pressure, which could increase T c by creating negative pressure via non-stoichiometric Pd x Te with x > 1. Accompanied with this is a sign change of the Hall coefficient from negative at x < 1 to positive at x > 1. This indicates extreme sensitivity of the electronic structure to chemical non-stoichiometry, which occurs as a Pd vacancy for x < 1 and Pd interstitial for x > 1.

nonstoichiometry↗
DOE OSTI2020

Topology-Bounded Superfluid Weight in Twisted Bilayer Graphene

While regular flat bands are good for enhancing the density of states and hence the gap, they are detrimental to the superfluid weight. We show that the predicted nontrivial topology of the two lowest flat bands of twisted bilayer graphene (TBLG) plays an important role in the enhancement of the superfluid weight and hence of superconductivity. We derive the superfluid weight (phase stiffness) of the TBLG superconducting flat bands with a uniform pairing, and show that it can be expressed as an integral of the Fubini-Study metric of the flat bands. This mirrors results already obtained for nonzero Chern number bands even though the TBLG flat bands have zero Chern number. We further show that the metric integral is lower bounded by the topological $C_{2z}T$ Wilson loop winding number of TBLG flat bands, which renders that the superfluid weight is also bounded by this topological index. In contrast, trivial flat bands have a zero superfluid weight. The superfluid weight is crucial in determining the Berezinskii-Kosterlitz-Thouless transition temperature of the superconductor. Based on the transition temperature measured in TBLG experiments, we estimate the topological contribution of the superfluid weight in TBLG.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A microscopic Kondo lattice model for the heavy fermion antiferromagnet CeIn 3

Electrons at the border of localization generate exotic states of matter across all classes of strongly correlated electron materials and many other quantum materials with emergent functionality. Heavy electron metals are a model example, in which magnetic interactions arise from the opposing limits of localized and itinerant electrons. This remarkable duality is intimately related to the emergence of a plethora of novel quantum matter states such as unconventional superconductivity, electronic-nematic states, hidden order and most recently topological states of matter such as topological Kondo insulators and Kondo semimetals and putative chiral superconductors. The outstanding challenge is that the archetypal Kondo lattice model that captures the underlying electronic dichotomy is notoriously difficult to solve for real materials. Here we show, using the prototypical strongly-correlated antiferromagnet CeIn 3 , that a multi-orbital periodic Anderson model embedded with input from ab initio bandstructure calculations can be reduced to a simple Kondo-Heisenberg model, which captures the magnetic interactions quantitatively. We validate this tractable Hamiltonian via high-resolution neutron spectroscopy that reproduces accurately the magnetic soft modes in CeIn 3 , which are believed to mediate unconventional superconductivity. Our study paves the way for a quantitative understanding of metallic quantum states such as unconventional superconductivity.

36 MATERIALS SCIENCE↗