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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

First principles study of the Fermi surface topology of CeCu 2 ⁢Si 2

Since the discovery of heavy-fermion superconductivity in CeCu 2 ⁢Si 2 , the material has attracted great interest, particularly with regard to the nature of the superconducting pairing and its mechanism. Consequently, it is essential to better understand the electronic Fermi surface topology and its role in strong antiferromagnetic fluctuations. The standard density functional theory method is insufficient to model the interplay of strong on-site Coulomb repulsion in localized 4⁢𝑓 electrons and their hybridization with itinerant ligand-orbital electrons. We have performed electronic ground-state calculations on CeCu 2 ⁢Si 2 using the Gutzwiller wave function approximation. The Gutzwiller approximation captures the quasiparticle band renormalization from the strong on-site Coulomb repulsion. We have performed an analysis of this effect on the electronic structure and the Fermi surface topology by varying the interaction strength and taking into account the crystal-field splitting. Using the de Haas-van Alphen effect, the extremal Fermi surface cross-sectional areas were calculated to quantify the effects of quasiparticle mass renormalization on the Fermi surface. Our results confirm the presence of two Fermi surface sheets corresponding to the heavy (488⁢𝑚 𝑒 ) and light (4.35⁢𝑚 𝑒 ) quasiparticles when the crystal-field splitting is accounted for on equal footing with the electronic correlations. This method gives the best agreement with experimental measurements as well as the renormalized band method.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Identifying Majorana vortex modes via nonlocal transport

The combination of two-dimensional Dirac surface states with s-wave superconductivity is expected to generate localized topological Majorana zero modes in vortex cores. Putative experimental signatures of these modes have been reported for heterostructures of proximitized topological insulators, iron-based superconductors or certain transition metal dichalcogenides. Despite these efforts, the Majorana nature of the observed excitation is still under debate. In this work, we propose to identify the presence of Majorana vortex modes using a nonlocal transport measurement protocol originally employed for one-dimensional settings. In the case of an isolated subgap state, the protocol provides a spatial map of the ratio of local charge- and probability-density which offers a clear distinction between Majorana and ordinary fermionic modes. We show that these distinctive features survive in the experimentally relevant case of hybridizing vortex core modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Observation of gapped state in rare-earth monopnictide HoSb

The rare-earth monopnictide family is attracting an intense current interest driven by its unusual extreme magnetoresistance (XMR) property and the potential presence of topologically non-trivial surface states. The experimental observation of non-trivial surface states in this family of materials are not ubiquitous. Here, using high-resolution angle-resolved photoemission spectroscopy, magnetotransport, and parallel first-principles modeling, we examine the nature of electronic states in HoSb. Although we find the presence of bulk band gaps at the G and X-symmetry points of the Brillouin zone, we do not find these gaps to exhibit band inversion so that HoSb does not host a Dirac semimetal state. Our magnetotransport measurements indicate that HoSb can be characterized as a correlated nearly-complete electron-hole-compensated semimetal. Our analysis reveals that the nearly perfect electron-hole compensation could drive the appearance of non-saturating XMR effect in HoSb.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Spin excitations in the kagome-lattice metallic antiferromagnet Fe 0.89 Co 0.11 Sn

Kagome-lattice materials have attracted tremendous interest due to the broad prospect for seeking superconductivity, quantum spin liquid states, and topological electronic structures. Among them, the transition-metal kagome lattices are high-profile objects for the combination of topological properties, rich magnetism, and multiple-orbital physics. Here we report an inelastic neutron scattering study on the spin dynamics of a kagome-lattice antiferromagnetic metal Fe 0.89 Co 0.11 Sn. Although the magnetic excitations can be observed up to ~250 meV, well-defined spin waves are only identified below ~90 meV and can be modeled using Heisenberg exchange with ferromagnetic in-plane nearest-neighbor coupling J 1 , in-plane next-nearest-neighbor coupling J 2 , and antiferromagnetic (AFM) interlayer coupling J c under linear spin-wave theory. Above ~90 meV, the spin waves enter the itinerant Stoner continuum and become highly damped particle-hole excitations. At the K point of the Brillouin zone, we reveal a possible band crossing of the spin wave, which indicates a potential Dirac magnon. Finally, our results uncover the evolution of the spin excitations from the planar AFM state to the axial AFM state in Fe 0.89 Co 0.11 Sn, solve the magnetic Hamiltonian for both states, and confirm the significant influence of the itinerant magnetism on the spin excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Electronic properties of correlated kagomé metals AV 3 Sb 5 (A = K, Rb, and Cs): A perspective

Following the discovery of a new family of kagomé prototypical materials with structure AV 3 Sb 5 (A=K, Rb, and Cs), there has been a heightened interest in studying the correlation-driven electronic phenomena in these kagomé lattice systems. The study of these materials has gone beyond magneto-transport measurements to reveal exciting features such as Dirac bands, anomalous Hall effect, bulk superconductivity with T c ~0.9–2.5K, and the observation of charge density wave instabilities, suggesting an intertwining of topological physics and new quantum orders. Moreover, very recent works on numerous types of experiments have appeared further examining the unconventional superconductivity and the exotic electronic states found within these kagomé materials. Theories on the strong interactions that play a role in these systems have been proposed to shed light on the nature of these topological charge density waves. In this brief review, we summarize these recent experimental findings and theoretical proposals and envision the materials as new platforms to study the interplay between topological physics and strongly correlated electronic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Fermi-surface driven frustrations in charge ordered kagome metal LuNb 6 ⁢Sn 6

The charge density wave (CDW), a translational symmetry breaking electronic liquid, plays a pivotal role in correlated quantum materials, such as high-𝑇 𝑐 superconductors and topological semimetals. Recently, CDWs that possibly intertwine with superconductivity and magnetism are observed in various kagome metals. However, the nature of CDWs and the role of the Fermi-surface (FS) topology in these materials remain an unresolved challenge. In this paper, we reveal the formation of CDWs in the newly discovered kagome metal LuNb 6 ⁢Sn 6 . Here, we observe a ‘‘yield sign’’-like hollow triangular diffuse scattering pattern and nearly complete softening of a flat optical phonon band near 𝐐 𝐻 = (1/3,1/3,1/2). The scattering intensity of the diffuse scattering displays divergent behavior as decreasing temperature until 𝑇 CDW = 70 K, where a competing CDW at 𝑄 CDW = (1/3,1/3,1/3) emerges. Combined with scanning tunneling microscopy/spectroscopy and first-principles calculations, our observations support a Fermi-surface driven frustration that suppresses the leading CDW instability at 𝐐 𝐻 . This frustration is relieved by the emergence of a subleading CDW at 𝑄 CDW . These results provide insights into the interplay between the Fermi surface, strong electron-phonon coupling, and charge density wave formation in quantum materials.

Yang, F. Z. [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2023

Mechanical, electronic, optical, piezoelectric and ferroic properties of strained graphene and other strained monolayers and multilayers: an update

Abstract This is an update of a previous review (Naumis et al 2017 Rep. Prog. Phys. 80 096501). Experimental and theoretical advances for straining graphene and other metallic, insulating, ferroelectric, ferroelastic, ferromagnetic and multiferroic 2D materials were considered. We surveyed (i) methods to induce valley and sublattice polarisation ( P ) in graphene, (ii) time-dependent strain and its impact on graphene’s electronic properties, (iii) the role of local and global strain on superconductivity and other highly correlated and/or topological phases of graphene, (iv) inducing polarisation P on hexagonal boron nitride monolayers via strain, (v) modifying the optoelectronic properties of transition metal dichalcogenide monolayers through strain, (vi) ferroic 2D materials with intrinsic elastic ( σ ), electric ( P ) and magnetic ( M ) polarisation under strain, as well as incipient 2D multiferroics and (vii) moiré bilayers exhibiting flat electronic bands and exotic quantum phase diagrams, and other bilayer or few-layer systems exhibiting ferroic orders tunable by rotations and shear strain. The update features the experimental realisations of a tunable two-dimensional Quantum Spin Hall effect in germanene, of elemental 2D ferroelectric bismuth, and 2D multiferroic NiI 2 . The document was structured for a discussion of effects taking place in monolayers first, followed by discussions concerning bilayers and few-layers, and it represents an up-to-date overview of exciting and newest developments on the fast-paced field of 2D materials.

Physics↗
DOE OSTI2024

2024 roadmap on 2D topological insulators

Abstract 2D topological insulators promise novel approaches towards electronic, spintronic, and quantum device applications. This is owing to unique features of their electronic band structure, in which bulk-boundary correspondences enforces the existence of 1D spin–momentum locked metallic edge states—both helical and chiral—surrounding an electrically insulating bulk. Forty years since the first discoveries of topological phases in condensed matter, the abstract concept of band topology has sprung into realization with several materials now available in which sizable bulk energy gaps—up to a few hundred meV—promise to enable topology for applications even at room-temperature. Further, the possibility of combining 2D TIs in heterostructures with functional materials such as multiferroics, ferromagnets, and superconductors, vastly extends the range of applicability beyond their intrinsic properties. While 2D TIs remain a unique testbed for questions of fundamental condensed matter physics, proposals seek to control the topologically protected bulk or boundary states electrically, or even induce topological phase transitions to engender switching functionality. Induction of superconducting pairing in 2D TIs strives to realize non-Abelian quasiparticles, promising avenues towards fault-tolerant topological quantum computing. This roadmap aims to present a status update of the field, reviewing recent advances and remaining challenges in theoretical understanding, materials synthesis, physical characterization and, ultimately, device perspectives.

Weber, Bent (ORCID:000000018586127X)↗
DOE OSTI2020

Superconductivity in single crystals of ZrP 1.27 Se 0.73

Results are reported for single crystals of the PbFCl-type layered compound ZrP 1.27 Se 0.73 that were produced using the iodine vapor transport method. Electrical transport, magnetization, and heat capacity measurements reveal disordered metallic behavior and the occurrence of bulk superconductivity, with a transition temperature (T c ) of 7.1 K and an anisotropic orbitally limited upper critical field. 31 P nuclear magnetic resonance measurements provide additional microscopic information, where the line shape, Knight shift, and spin-lattice relaxation data are consistent with the superconductivity originating from the corrugated Zr-P(2c)/Se plane. This suggests that the superconductivity first forms in the corrugated plane and the bulk superconductivity eventually occurs via coupling between the square planar layers. These data also show that either there are multiple superconducting gaps or there is a single gap that does not fully open across the entire Fermi surface. Finally, these results clarify the superconducting state in this material and will enable further measurements that require single-crystal specimens.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Design, Control and Application of Next Generation Qubits

Design, Control and Application of Next Generation Qubits Arun Bansil, Northeastern University (Principal Investigator) Claudio Chamon, Boston University (Co-Investigator) Adrian Feiguin, Northeastern University (Co-Investigator) Liang Fu, MIT (Co-Investigator) Eduardo Mucciolo, Univ. of Central Florida (Co-Investigator) Qimin Yan, Temple University (Co-Investigator) The quest for developing technologies for manipulating and storing information quantum mechanically is currently led by approaches that include Josephson-junctions, ion-traps, and qubits generated by defect spins in solids. Topological qubits, however, are inherently more robust to decoherence by environmental effects, and should be able to sprint ahead once practical barriers have been overcome. At the present stage of the development of the field, it is important to explore a variety of architectures and materials beyond the conventional paradigms in order to seed breakthroughs toward building a scalable quantum computer. Our comprehensive theoretical research program involved four interconnected thrusts as follows. • A materials discovery effort in two-dimensional compounds in search of materials to support Majorana zero modes and defect structures suitable as qubits. • Exploration of architectures for topological quantum computation by investigating both superconducting Majorana qubits, and robust platforms for braiding with new “meta-materials” built of arrays of Majorana qubits. • Investigation of properties of hybrid metal-organic qubits based on transition-metal centers in graphene, and molecular crystals of polyaromatic complexes with embedded transition-metal atoms. • Development of tensor-network and semiclassical approaches to study decoherence in the presence of random and dispersive spin baths, and NV centers in diamond. The full spectrum of theoretical and numerical approaches was used to address the goals of this project including first-principles, density-matrix-renormalization group, tensor networks, and data-driven high-throughput approaches using materials database and machine-learning.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Discovery of segmented Fermi surface induced by Cooper pair momentum

Imaging a peculiar Fermi surface Running a current through a superconductor can cause the superconducting gap to close on a section of the Fermi surface. However, observing this segmented Fermi surface directly is tricky. To do so, Zhu et al . worked with a thin film of the topological insulator bismuth telluride placed on top of superconducting niobium diselenide. A small applied magnetic field caused a screening current, which in turn led to a segmented Fermi surface in the topological insulator layer. Using a scanning tunneling microscope, the researchers were able to map out this Fermi surface. —JS

Science & Technology - Other Topics↗
DOE OSTI2020

Energy spectrum and current-phase relation of a nanowire Josephson junction close to the topological transition

A semiconducting nanowire proximitized by an $\textit{s}$-wave superconductor can be tuned into a topological state by an applied magnetic field. This quantum phase transition is marked by the emergence of Majorana zero modes at the ends of the wire. The fusion of Majorana modes at a junction between two nanowires results in a 4π-periodic Josephson effect. Here, we elucidate how the 4π periodicity arises across the topological phase transition in a highly-transparent short nanowire junction. Owing to a high transmission coefficient, Majorana zero modes coming from different wires are strongly coupled, with an energy scale set by the proximity-induced, field-independent pairing potential. At the same time, the topological spectral gap—defined by competition between superconducting correlations and Zeeman splitting—becomes narrow in the vicinity of the transition point. The resulting hybridization of the fused Majorana states with the spectral continuum strongly affects the electron density of states at the junction and its Josephson energy. We study the manifestations of this hybridization in the energy spectrum and phase dependence of the Josephson current. We pinpoint the experimentally observable signatures of the topological phase transition, focusing on junctions with weak backscattering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Fractional magnetoresistance oscillations in spin-triplet superconducting rings

Abstract Half-quantum vortices in spin-triplet superconductors are predicted to host Majorana zero modes and may provide a viable platform for topological quantum computation. Recent works also suggested that, in thin mesoscopic rings, the superconducting pairing symmetry can be probed via Little-Parks-like magnetoresistance oscillations of periodicity Φ 0 = h /2 e that persist below the critical temperature. Here we use the London limit of Ginzburg-Landau theory to study these magnetoresistance oscillations resulting from thermal vortex tunneling in spin-triplet superconducting rings. For a range of temperatures in the presence of disorder, we find magnetoresistance oscillations with an emergent fractional periodicity Φ 0 / n , where the integer n ≥ 3 is entirely determined by the ratio of the spin and charge superfluid densities. These fractional oscillations can unambiguously confirm the spin-triplet nature of superconductivity and directly reveal the tunneling of half-quantum vortices in real-world candidate materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Novel quantum states of matter in moiré materials (2023 Aspen Winter Conference)

This report is to summarize the proceedings of the conference “Novel Quantum States of Matter in Moiré Materials,” which was held at the Aspen Center for Physics, March 12 – 17, 2023. The conference organizers thank the Department of Energy (DOE) for providing funding support for the conference. The advent of moiré quantum materials has opened a highly tunable platform for exploring the interplay between electronic structure, interactions, symmetry, and topology. Since the discovery of correlated insulator states and superconductivity in magic-angle twisted bilayer graphene (MATBG), a growing variety of moiré systems have emerged, revealing novel correlated and topological phenomena such as quantum anomalous Hall systems, generalized Wigner crystals, and fractional Chern insulators. This rich phenomenology continues to attract intense theoretical and experimental interest.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Robust topological state against magnetic impurities observed in the superconductor PbTaSe 2

Magnetic impurities deposited on topological superconductor candidate PbTaSe 2 can introduce a nonsplitting zero-energy state inside the superconducting gap, which has been proposed as a field-free platform for topological zero modes. However, it is still unclear how robust the topological state in PbTaSe 2 is against magnetic impurities, which is related to the topological nature of the zero-energy state as well as its potential for quantum computation. In this paper, we use scanning tunneling microscopy to study the topological surface state in the normal state of PbTaSe 2 under the perturbation of magnetic impurities. We visualize the quasiparticle interference (QPI) arising from the topological surface state. We then deposit Fe impurities on the surface to form atomic Fe adatoms. We find that each Fe adatom sits at a unique interstitial position on the surface and features a local state at high energies, both of which are consistent with our first-principles calculation that further reveals its large magnetic moment. Our systematic Fe deposition and subsequent measurements show that the arclike QPI pattern at the Fermi energy is robust with up to 3% Fe coverage where the atomic nature of Fe adatoms still holds. Our results provide evidence that the topological surface state at the Fermi energy in PbTaSe 2 is robust against dilute magnetic impurities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Direct Visualization of Surface Spin-Flip Transition in MnBi 4 Te 7

Here, we report direct visualization of spin-flip transition of the surface layer in antiferromagnet MnBi 4 Te 7 , a natural superlattice of alternating MnBi 2 Te 4 and Bi 2 Te 3 layers, using cryogenic magnetic force microscopy (MFM). The observation of magnetic contrast across domain walls and step edges confirms that the antiferromagnetic order persists to the surface layers. The magnetic field dependence of the MFM images reveals that the surface magnetic layer undergoes a first-order spin-flip transition at a magnetic field that is lower than the bulk transition, in excellent agreement with a revised Mills model. Our analysis suggests no reduction of the order parameter in the surface magnetic layer, implying robust ferromagnetism in the single-layer limit. The direct visualization of surface spin-flip transition not only opens up exploration of surface metamagnetic transitions in layered antiferromagnets, but also provides experimental support for realizing quantized transport in ultrathin films of MnBi 4 Te 7 and other natural superlattice topological magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Multiterminal Inverse AC Josephson Effect

When a Josephson junction is exposed to microwave radiation, it undergoes the inverse AC Josephson effect–the phase of the junction locks to the drive frequency. As a result, the I–V curves of the junction acquire “Shapiro steps” of quantized voltage. If the junction has three or more superconducting contacts, coupling between different pairs of terminals must be taken into account and the state of the junction evolves in a phase space of higher dimensionality. Here, we study the multiterminal inverse AC Josephson effect in a graphene sample with three superconducting terminals. We observe robust fractional Shapiro steps and correlated switching events, which can only be explained by considering the device as a completely connected Josephson network. We successfully simulate the observed behaviors using a modified two-dimensional RCSJ model. Our results suggest that multiterminal Josephson junctions are a playground to study highly connected nonlinear networks with novel topologies.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Multimodal synchrotron x-ray diffraction across the superconducting transition of Sr 0.1 Bi 2 Se 3

Here, in the doped topological insulator Sr x Bi 2 ⁢Se 3 , a pronounced in-plane twofold symmetry is observed in electronic properties below the superconducting transition temperature T c ~ 3 K, despite the threefold symmetry of the observed $R\overline{3}m$ space group. The axis of twofold symmetry is nominally pinned to one of three rotationally equivalent crystallographic directions and crystallographic strain has been proposed to be the origin of this pinning. We carried out multimodal synchrotron diffraction and resistivity measurements down to and in magnetic fields up to 45 kG on a single crystal of to probe the effect of superconductivity on the crystallographic distortion. Our results indicate that there is no in-plane crystallographic distortion at the level of 1 x 10 -5 associated with the superconducting transition. These results further support the model that the large twofold in-plane anisotropy of superconducting properties of Sr x Bi 2 ⁢Se 3 is not structural in origin, but electronic, namely, it is caused by a nematic superconducting order parameter of E u symmetry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗