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Results for “Fermionic condensates”

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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Numerical results on the short-range spin correlation functions in the ground state of the two-dimensional Hubbard model

Optical lattice experiments with ultracold fermion atoms and quantum gas microscopy have recently realized direct measurements of magnetic correlations at the site-resolved level. We calculate the short-range spin-correlation functions in the ground state of the two-dimensional repulsive Hubbard model with the auxiliary-field quantum Monte Carlo (AFQMC) method. The results are numerically exact at half filling where the fermion sign problem is absent. Away from half filling, we employ the constrained path AFQMC approach to eliminate the exponential computational scaling from the sign problem. The constraint employs unrestricted Hartree-Fock trial wave functions with an effective interaction strength U, which is optimized self-consistently within AFQMC. Large supercells are studied, with twist averaged boundary conditions as needed, to reach the thermodynamic limit. We find that the nearest-neighbor spin correlation always increases with the interaction strength U , contrary to the finite-temperature behavior where a maximum is reached at a finite U value. We also observe a change of sign in the next-nearest-neighbor spin correlation with increasing density, which is a consequence of the buildup of the long-range antiferromagnetic correlation. Finally, we expect the results presented in this paper to serve as a benchmark as lower temperatures are reached in ultracold atom experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Solutions of the two-dimensional Hubbard model: Benchmarks and results from a wide range of numerical algorithms

Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary-field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed-node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock methods. Comparison of results obtained by different methods allows for the identification of uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic-limit values is emphasized. Furthermore, cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Phase tuning of multiple Andreev reflections of Dirac fermions and the Josephson supercurrent in Al–MoTe 2 –Al junctions

When an electron is incident on a superconductor from a metal, it is reflected as a hole in a process called Andreev reflection. If the metal N is sandwiched between two superconductors S in an SNS junction, multiple Andreev reflections (MARs) occur. We have found that, in SNS junctions with high transparency (τ → 1) based on the Dirac semimetal MoTe 2 , the MAR features are observed with exceptional resolution. By tuning the phase difference φ between the bracketing Al superconductors, we establish that the MARs coexist with a Josephson supercurrent I s =I A sin φ. As we vary the junction voltage V, the supercurrent amplitude I A varies in step with the MAR order n, revealing a direct relation between them. Two successive Andreev reflections serve to shuttle a Cooper pair across the junction. If the pair is shuttled coherently, it contributes to I s . The experiment measures the fraction of pairs shuttled coherently vs. V. Surprisingly, superconductivity in MoTe 2 does not affect the MAR features.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Symmetry-protected topological polarons

Emergent quasiparticles in solids often exhibit unique topological properties as a result of the complex interplay between charge, orbital, spin, and lattice degrees of freedom. Among these quasiparticles, the polaron occupies a special place as the first known manifestation of the interaction between a fermion and a boson field. While polarons have been investigated for almost a century, whether these quasiparticles exhibit topological properties and why remain open questions. Here, we establish the universal symmetry principles governing the topology of polar textures in large polarons. Using a group-theoretic analysis, we identify four distinct classes of polar textures in time-reversal-invariant systems, and we show that they carry integer topological charges. We validate this classification by performing state-of-the-art first-principles calculations of materials representative of each class. For these materials, we compute the fingerprints of polaron topology in Huang diffuse scattering and propose ultrafast electron and X-ray scattering experiments to detect these quasiparticles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Damped Dirac magnon in the metallic kagome antiferromagnet FeSn

The kagome lattice is a fertile platform to explore topological excitations with both Fermi-Dirac and Bose-Einstein statistics. While relativistic Dirac fermions and flat bands have been discovered in the electronic structure of kagome metals, the spin excitations have received less attention. Here, we report inelastic neutron scattering studies of the prototypical kagome magnetic metal FeSn. The spectra display well-defined spin waves extending to 120 meV. Above this energy, the spin waves become progressively broadened, reflecting interactions with the Stoner continuum. Using linear spin-wave theory, we determine an effective spin Hamiltonian that reproduces the measured dispersion. This analysis indicates that the Dirac magnon at the K point remarkably occurs on the brink of a region where well-defined spin waves become unobservable. Furthermore, our results emphasize the influential role of itinerant carriers on the topological spin excitations of metallic kagome magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Traditional Semiconductors in the Two-Dimensional Limit

Interest in two-dimensional materials has exploded in recent years. Not only are they studied due to their novel electronic properties, such as the emergent Dirac fermion in graphene, but also as a new paradigm in which stacking layers of distinct two-dimensional materials may enable different functionality or devices. Here, through first-principles theory, we reveal a large new class of two-dimensional materials which are derived from traditional III-V, II-VI, and I-VII semiconductors. It is found that in the ultrathin limit the great majority of traditional binary semiconductors studied (a series of 28 semiconductors) are not only kinetically stable in a two-dimensional double layer honeycomb structure, but more energetically stable than the truncated wurtzite or zinc-blende structures associated with three dimensional bulk. These findings both greatly increase the landscape of two-dimensional materials and also demonstrate that in the double layer honeycomb form, even ordinary semiconductors, such as GaAs, can exhibit exotic topological properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Simulating strongly correlated electrons with a strongly interacting Fermi gas

The quantum many-body physics of strongly-correlated fermions is studied in a degenerate, strongly- interacting atomic Fermi gas, first realized by our group with DOE support in 2002. This system, which exhibits strong spin pairing, is now widely studied and provides an important paradigm for testing predictions based on state-of-the-art many-body theory in fields ranging from nuclear matter to high temperature superfluidity and superconductivity. As the system is strongly interacting, both the superfluid and the normal fluid are nontrivial and of great interest. A central part of our program on Fermi gases is the connection between the study of thermodynamics, supported by DOE and the study of hydrodynamic transport, supported by NSF. This connection is especially interesting in view of a recent conjecture from the string theory community on the concept of nearly perfect normal fluids, which exhibit a minimum ratio of shear viscosity to entropy density in strongly-interacting, scale-invariant systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Boosting the accuracy and speed of quantum Monte Carlo: Size consistency and time step

Diffusion Monte Carlo (DMC) simulations for fermions are becoming the standard for providing high-quality reference data in systems that are too large to be investigated via quantum chemical approaches. DMC with the fixed-node approximation relies on modifications of the Green's function to avoid singularities near the nodal surface of the trial wave function. Here we show that these modifications affect the DMC energies in a way that is not size consistent, resulting in large time-step errors. Building on the modifications of Umrigar et al. and DePasquale et al. we propose a simple Green's function modification that restores size consistency to large values of the time step, which substantially reduces time-step errors. Furthermore, this algorithm also yields remarkable speedups of up to two orders of magnitude in the calculation of molecule-molecule binding energies and crystal cohesive energies, thus extending the horizons of what is possible with DMC.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Unusual Phonon Heat Transport in α-RuCl 3 : Strong Spin-Phonon Scattering and Field-Induced Spin Gap

The honeycomb Kitaev-Heisenberg model is a source of a quantum spin liquid with Majorana fermions and gauge flux excitations as fractional quasiparticles. In this paper, we unveil the highly unusual low-temperature heat conductivity κ of α-RuCl 3 , a prime candidate for realizing such physics: beyond a magnetic field of B c ≈ 7.5 T, κ increases by about one order of magnitude, both for in-plane as well as out-of-plane transport. This clarifies the unusual magnetic field dependence unambiguously to be the result of severe scattering of phonons off putative Kitaev-Heisenberg excitations in combination with a drastic field-induced change of the magnetic excitation spectrum. In particular, an unexpected, large energy gap arises, which increases linearly with the magnetic field, reaching remarkable ℏω 0 /k B ≈50 K at 18 T.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Superconducting pairing of topological surface states in bismuth selenide films on niobium

A topological insulator film coupled to a simple isotropic s-wave superconductor substrate can foster helical pairing of the Dirac fermions associated with the topological surface states. Experimental realization of such a system is exceedingly difficult, however using a novel “flip-chip” technique, we have prepared single-crystalline Bi 2 Se 3 films with predetermined thicknesses in terms of quintuple layers (QLs) on top of Nb substrates fresh from in situ cleavage. Our angle-resolved photoemission spectroscopy (ARPES) measurements of the film surface disclose superconducting gaps and coherence peaks of similar magnitude for both the topological surface states and bulk states. The ARPES spectral map as a function of temperature and film thickness up to 10 QLs reveals key characteristics relevant to the mechanism of coupling between the topological surface states and the superconducting Nb substrate; the effective coupling length is found to be much larger than the decay length of the topological surface states.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Multiple topological states in iron-based superconductors

Topological materials and unconventional iron-based superconductors are both important areas of study but, to date, relatively little overlap has been identified between these two fields. However, the combination of topological bands and superconductivity promises the manifestation of exotic superconducting states, including Majorana fermions, the central component of topological quantum computation. Here, using laser-based, spin-resolved and angle-resolved photoemission spectroscopy and density functional theory calculations, we have identified both topological insulator and Dirac semimetal states near the Fermi energy in different iron-based superconducting compounds. Carrier doping can tune these topologically non-trivial bands to the Fermi energy, potentially allowing access to several different superconducting topological states in the same material. Furthermore, these results reveal the generic coexistence of superconductivity and multiple topological states in iron-based superconductors, indicating that this broad class of materials is a promising platform for high-temperature topological superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

FFLO order in ultra-cold atoms in three-dimensional optical lattices

We explore different ground-state phases of attractive spin-imbalanced populations of fermions in three-dimensional optical lattices. Detailed numerical calculations are performed using Hartree–Fock–Bogoliubov theory to determine the ground-state properties systematically for different values of density, spin polarization and interaction strength. To begin, we consider the high density and low polarization regime, in which the effect of the optical lattice is most evident. Then, we proceed to the low density and high polarization regime where the effects of the underlying lattice are less significant and the system begins to resemble a continuum Fermi gas. We discover the effects of density, polarization and interaction on the character of the phases in each regime and highlight the qualitative differences between the two regimes. In the high-density regime, the order is found to be of Larkin–Ovchinnikov type, linearly oriented with one characteristic wave vector but varying in its direction with the parameters. At lower densities the order parameter develops more structures involving multiple wave vectors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Superconducting pairing mechanism in CeCoIn 5 revisited

Spectroscopic-imaging scanning-tunneling microscopy (SI-STM) measurements have previously been applied to the study of the heavy-fermion system CeCoIn 5 to examine the superconducting gap structure and band dispersions via quasiparticle intereference. Here we directly measure the dispersing electron bands with angle-resolved-photoelectron spectroscopy (ARPES) and compare with first principles electronic structure calculations. By auto-correllating the ARPES-resolved bands with themselves we can measure the potential q-vectors and discern exactly which bands the STM is measuring. We find that the STM results are dominated by scattering associated with a cloverleaf shaped band centered at the zone corners. This same band is also a viable candidate to host the superconducting gap. Overall, the electronic structure calculations indicate that this region of the Fermi surface involves significant contributions from the Co d-electrons, an indication that the superconductivity in these materials is more 3-dimensional than that found in the related unconventional superconductors, the cuprates and the pnictides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Symmetric U(1) and Z 2 spin liquids on the pyrochlore lattice

The geometrically frustrated three-dimensional pyrochlore lattice has been long predicted to host a quantum spin liquid, an intrinsic long-range entangled state with fractionalized excitations. To date, most proposals for pyrochlore materials have focused on quantum spin ice, a U(1) quantum spin liquid whose only low energy excitations are emergent photons of Maxwell type. Here, we explore the possibility of finding pyrochlore quantum spin liquids whose low energy theories go beyond this standard one. We give a complete classification of symmetric U ( 1 ) and Z 2 spin liquids on the pyrochlore lattice within the projective symmetry group framework for fermionic spinons. We find 18 U ( 1 ) spin liquids and 28 Z 2 spin liquids that preserve pyrochlore space-group symmetry while, upon further imposing time-reversal symmetry, the numbers of classes become 16 and 48, respectively. For each class, the most general symmetry-allowed spinon mean-field Hamiltonian is given. Interestingly, we find that several U(1) spin liquid classes possess an unusual gapless multi-nodal-line structure (“nodal star”) in the spinon bands, which is protected by the projective actions of the threefold rotation and screw symmetries of the pyrochlore space group. Through a simple model, we study the effect of gauge fluctuations on such a nodal star spin liquid and propose that the leading terms in the low temperature specific heat have the scaling form C / T ~ T + T / ln T , in contrast to the form C / T ~ T 2 of the standard U(1) pyrochlore spin liquid with gapped spinons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

G -type magnetic order in ferropnictide Cu x Fe 1–y As induced by hole doping on As sites

Strong antiferromagnetic (AFM) correlation has long been postulated to be closely related to the occurrence of unconventional high-temperature superconductivity observed in the cuprates, heavy fermions, and organic superconductors. Here, the recently discovered Fe-based superconductors add another interesting member to the list. However, insufficient attention has been paid to the versatile nature of the magnetic correlation in these materials: some showing stripe (C-type) order, others double stripe (E-type) or block AFM order instead, implying potentially richer structures of the superconducting order. Here we report the observation of yet another AFM correlation in the family: a G-type AFM order as seen in the high-T c cuprates, in Cu x Fe 1–y As compounds isostructural to the LiFeAs superconductor. This study not only sheds light on the underlying mechanism of the rich magnetic correlations in the Fe-based superconductors, but also suggests the possibility of realizing a distinct pairing symmetry upon chemical doping or applying pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Spinon excitations in the quasi-one-dimensional $S = \frac{1}{2}$ chain compound Cs 4 CuSb 2 Cl 12

The spin-$\frac{1}{2}$ Heisenberg antiferromagnetic chain is ideal for realizing one of the simplest gapless quantum spin liquids (QSLs), supporting a many-body ground state whose elementary excitations are fractional fermionic excitations called spinons. Here we report the discovery of such a one-dimensional (1D) QSL in Cs 4 CuSb 2 Cl 12 . Compared to previously reported $S = \frac{1}{2}$ 1D chains, this material possesses a wider temperature range over which the QSL state is stabilized. In this work, we identify spinon excitations extending at $\textit{T}$ > 0.8 K, with a large $\textit{T}$-linear contribution to the specific heat, γ = 31.5(2)mJ mol –1 K –2 , which contribute itinerantly to thermal transport up to temperatures as high as $\textit{T}$ = 35 K. At $\textit{T}$ = 0.7 K , we find a second-order phase transition that is unchanged by a $μ_0H = 5T$ magnetic field. Cs 4 CuSb 2 Cl 12 reveals new phenomenology deep in the 1D QSL regime, supporting a gapped QSL phase over a wide temperature range compared to many other experimental realizations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Single-electron charge transfer into putative Majorana and trivial modes in individual vortices

Majorana bound states are putative collective excitations in solids that exhibit the self-conjugate property of Majorana fermions—they are their own antiparticles. In iron-based superconductors, zero-energy states in vortices have been reported as potential Majorana bound states, but the evidence remains controversial. Here, we use scanning tunneling noise spectroscopy to study the tunneling process into vortex bound states in the conventional superconductor NbSe 2 , and in the putative Majorana platform FeTe 0.55 Se 0.45 . We find that tunneling into vortex bound states in both cases exhibits charge transfer of a single electron charge. Our data for the zero-energy bound states in FeTe 0.55 Se 0.45 exclude the possibility of Yu–Shiba–Rusinov states and are consistent with both Majorana bound states and trivial vortex bound states. Our results open an avenue for investigating the exotic states in vortex cores and for future Majorana devices, although further theoretical investigations involving charge dynamics and superconducting tips are necessary.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗