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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Spatially inhomogeneous magnetic superconductors

Here we consider a problem of superconductivity coexistence with the spin-density-wave order in disordered multiband metals. It is assumed that random variations of the disorder potential on short length scales render the interactions between electrons to become spatially correlated. As a consequence, both superconducting and magnetic order parameters become spatially inhomogeneous and are described by the universal phenomenological quantities, whereas all the microscopic details are encoded in the correlation function of the coupling strength fluctuations. We consider a minimal model with two nested two-dimensional Fermi surfaces and disorder potentials which include both intra- and interband scattering. The model is analyzed using the quasiclassical approach to show that short-scale pairing-potential disorder leads to a broadening of the coexistence region.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Quantum oscillation of thermally activated conductivity in a monolayer WTe 2 -like excitonic insulator

Recently, quantum oscillation of the resistance in insulating monolayer WTe 2 was reported. An explanation in terms of gap modulation in the hybridized Landau levels of an excitonic insulator was also proposed by one of us. However, the previous picture of gap modulation in the Landau levels spectrum was built on a pair of well nested electron and hole Fermi surfaces, while the monolayer WTe 2 has one hole and two electron Fermi pockets with relative anisotropy. In this work we demonstrate that for system like monolayer WTe 2 , the excitonic insulating state arising from the coupled one hole and two electron pockets possesses a finite region in interaction parameter space that shows gap modulation in a magnetic field. In this region, the thermally activated conductivity displays the 1/B periodic oscillation and it can further develop into discrete peaks at low temperature, in agreement with the experimental observation. We show that the relative anisotropy of the bands is a key parameter and the quantum oscillations decrease rapidly if the anisotropy increases further than the realistic value for monolayer WTe 2 .

2-dimensional systems↗
DOE OSTI2022

Coupled Hubbard ladders at weak coupling: Pairing and spin excitations

The Hubbard model provides a simple framework in which one can study how certain aspects of the electronic structure of strongly interacting systems can be tuned to optimize the superconducting pairing correlations and how these changes affect the mechanisms giving rise to them. Here we use a weak-coupling random phase approximation to study a two-dimensional Hubbard model with a unidirectional modulation of the hopping amplitudes as the system evolves from the uniform square lattice to an array of weakly coupled two-leg ladders. We find that the pairing correlations retain their dominant d x 2 - y 2- wavelike structure and that they are significantly enhanced for a slightly modulated lattice. This enhancement is traced backed to an increase in the strength of the spin-fluctuation pairing interaction due to favorable Fermi surface nesting in the modulated system. We then use a random-phase approximation BCS framework to examine the evolution of the neutron resonance in the superconducting state. We find that it changes only weakly for moderate modulations, but breaks up into two distinct resonances at incommensurate wave vectors in the limit of weakly coupled ladders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Dimensional crossover and symmetry transformation of charge density waves in VSe 2

Collective phenomena in solids can be sensitive to the dimensionality of the system; a case of special interest is VSe 2 , which shows a (√7×√3) charge density wave (CDW) in the single layer with threefold symmetry in the normal phase spontaneously broken, in contrast to the (4×4) in-plane CDW in the bulk. Angle-resolved photoemission spectroscopy (ARPES) from VSe 2 ranging from a single layer to the bulk reveals the evolution of the electronic structure including the Fermi surface contours and the CDW gap. At a thickness of two layers, the ARPES maps are already nearly bulklike, but the transition temperature T C for the (4×4) CDW is much higher than the bulk value of 110 K. These results can be understood as due to dimensional crossover of phonon instability driven by a competition of nesting vectors. Here, in this letter, we provide key insights into the CDW mechanisms and offer a perspective in the search and control of emergent phases in quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Optical conductivity of the two-dimensional Hubbard model: Vertex corrections, emergent Galilean invariance, and the accuracy of the single-site dynamical mean field approximation

We compute the frequency-dependent conductivity of the two-dimensional square lattice Hubbard model at zero temperature as a function of density to second order in the interaction strength, and compare the results to the predictions of single-site dynamical mean field theory computed at the same order. We find that despite the neglect of vertex corrections, the single-site dynamical mean field approximation produces semiquantitatively accurate results for most carrier concentrations, but fails qualitatively for the nearly empty or nearly filled band cases where the model exhibits an emergent Galilean invariance. The DMFT approximation also becomes qualitatively inaccurate very near half filling if nesting is important.

2-dimensional systems↗
DOE OSTI2022

Superconductivity in multiorbital systems with repulsive interactions: Hund's pairing versus spin-fluctuation pairing

Hund's pairing refers to Cooper pairing generated by onsite interactions that become attractive due to large Hund's exchange J. This is possible in multiorbital systems even when all local bare interactions are repulsive, since attractions in specific channels are given by certain linear combinations of interaction parameters. On the other hand, pairing processes such as the exchange of spin fluctuations are also present. We compare mean-field Hund's pairing and spin-fluctuation-mediated pairing using electronic bands appropriate for different classes of multiorbital systems over a wide range of interaction parameters. We find that, for systems without clear nesting features, the superconducting state generated by the Hund's mechanism agrees well with that from the full fluctuation exchange vertex when Hund's exchange and spin-orbit coupling are sufficiently large. On the other hand, for systems characterized by a peaked finite-momentum particle-hole susceptibility, spin-fluctuation pairing generally dominates over Hund's pairing. From this perspective Hund's pairing states appear unlikely to be realized in systems like Sr 2 RuO 4 and generic iron-based superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Charge correlations suppress unconventional pairing in the Holstein model

In a recent work by Schrodi et al. [Phys. Rev. B. 104, L140506 (2021)], the authors find an unconventional superconducting state with a sign-changing order parameter using the Migdal-Eliashberg theory, including the first vertex correction. This unconventional solution arises despite using an isotropic bare electron-phonon coupling in the Hamiltonian. We examine this claim using hybrid quantum Monte Carlo for a single-band Holstein model with a cuprate-like noninteracting band structure and identical parameters to Schrodi et al.. Our Monte Carlo results for these parameters suggest that unconventional pairing correlations do not exceed their noninteracting values at any carrier concentration we have checked. Instead, strong charge-density-wave correlations persist at the lowest accessible temperatures for dilute and nearly half-filled bands. As a result, we present arguments for how vertex-corrected Migdal-Eliashberg calculation schemes can lead to uncontrolled results in the presence of Fermi surface nesting.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Single monkey-saddle singularity of a Fermi surface and its instabilities

Fermi surfaces can undergo sharp transitions under smooth changes of parameters. Such transitions can have a topological character, as is the case when a higher-order singularity, one that requires cubic or higher-order terms to describe the electronic dispersion near the singularity, develops at the transition. When time-reversal and inversion symmetries are present, odd singularities can only appear in pairs within the Brillouin zone. In this case, the combination of the enhanced density of states that accompanies these singularities and the nesting between the pairs of singularities leads to interaction-driven instabilities. Here, we present examples of single n = 3 (monkey-saddle) singularities when time-reversal and inversion symmetries are broken. We then turn to the question of what instabilities are possible when the singularities are isolated. For spinful electrons, we find that the inclusion of repulsive interactions destroys any isolated monkey-saddle singularity present in the noninteracting spectrum by developing Stoner or Lifshitz instabilities. In contrast, for spinless electrons and at the mean-field level, we show that an isolated monkey-saddle singularity can be stabilized in the presence of short-range repulsive interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Trends in electronic structures and s ± -wave pairing for the rare-earth series in bilayer nickelate superconductor R 3 Ni 2 O 7

The recent discovery of pressure-induced superconductivity in the bilayer La 3 Ni 2 O 7 (LNO) has opened a new platform for the study of unconventional superconductors. In this publication, we investigate theoretically the whole family of bilayer 327-type nickelates R 3 Ni 2 O 7 (R = rare-earth elements) under pressure. From La to Lu, the lattice constants and volume decrease, leading to enhanced in-plane and out-of-plane hoppings, resulting in an effectively reduced electronic correlation U / W. Furthermore, the Ni's t 2g states shift away from the e g states, while the crystal-field splitting between d 3z 2 -r 2 and d x 2 -y 2 is almost unchanged. In addition, six candidates were found to become stable in the Fmmm phase, with increasing values of critical pressure as the atomic number increases. Similar to the case of LNO, the s ± -wave pairing tendency dominates in all candidates, due to the nesting between the M = (π , π) and the X = (π , 0) and Y = (0 , π) points in the Brillouin zone. Then, T c is expected to decrease as the radius of rare-earth (RE) ions decreases. In conclusion, our results suggest that LNO is already the “optimal” candidate, with Ce a close competitor, among the whole of the RE bilayer nickelates, and to increase T c we suggest growing on special substrates with larger in-plane lattice spacings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Incoherent electronic band states in Mn-substituted BaFe 2 As 2

Chemical substitution is commonly used to explore new ground states in materials, yet the role of disorder is often overlooked. In Mn-substituted BaFe 2 ⁢As 2 (MnBFA), superconductivity (SC) is absent, despite being observed for nominal hole-doped phases. Instead, a glassy magnetic phase emerges, associated with the S = 5/2 Mn local spins. In this work, we present a comprehensive investigation of the electronic structure of MnBFA using angle-resolved photoemission spectroscopy (ARPES). We find that Mn causes a small and orbital-specific reduction of the electron pockets, only partially disrupting nesting conditions. Based upon the analysis of the spectral properties, we observe, for all bands, an increase in the electronic scattering rate as a function of Mn content. This is interpreted as increasing band incoherence, which we propose as the primary contributor to the suppression of the magnetic order in MnBFA. Further, this finding connects the MnBFA electronic band structure properties to the glassy magnetic behavior observed in these materials and suggests that SC is absent because of the collective magnetic impurity behavior that scatters the Fe-derived excitations. Additionally, our analysis shows that the binding energy (E B ) dependence of the imaginary part of the self-energy [Im⁡Σ⁡(E B )] is best described by a fractional scaling (Im⁡Σ⁡(E B )∝$\sqrt-E_{B}$). These results indicate that Mn tunes MnBFA into an electronic disordered phase between the correlated Hund's metal in BaFe 2 ⁢As 2 and the Hund's insulator in BaMn 2 ⁢As 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Electronic structure and lattice dynamics of 1⁢𝑇−VSe 2 : Origin of the three-dimensional charge density wave

To characterize in detail the charge density wave (CDW) transition of 1⁢𝑇−VSe 2 , its electronic structure and lattice dynamics are comprehensively studied by means of x-ray diffraction, muon spectroscopy, angle resolved photoemission (ARPES), diffuse and inelastic x-ray scattering, and state-of-the-art first-principles density functional theory calculations. Resonant elastic x-ray scattering does not show any resonant enhancement at either V or Se, indicating that the CDW peak at the 𝐾 edges describes a purely structural modulation of the electronic ordering. ARPES experiments identify (i) a pseudogap at 𝑇 > 𝑇⁢ CDW , which leads to a depletion of the density of states in the ML-M'L' plane at 𝑇 < 𝑇⁢ CDW , and (ii) anomalies in the electronic dispersion reflecting a sizable impact of phonons on it. A diffuse scattering precursor, characteristic of soft phonons, is observed at room temperature (RT) and leads to the full collapse of the low-energy phonon (𝜔 1 ) with propagation vector (0.25 0 −0.3) r.l.u. Here, we show that the frequency and linewidth of this mode are anisotropic in momentum space, reflecting the momentum dependence of the electron-phonon interaction (EPI), hence demonstrating that the origin of the CDW is, to a much larger extent, due to the momentum dependent EPI with a small contribution from nesting. The pressure dependence of the 𝜔 1 soft mode remains nearly constant up to 13 GPa at RT, with only a modest softening before the transition to the high-pressure monoclinic C2/m phase. The wide set of experimental data is well captured by our state-of-the art first-principles anharmonic calculations with the inclusion of van der Waals corrections in the exchange-correlation functional. The comprehensive description of the electronic and dynamical properties of VSe 2 reported here adds important pieces of information to the understanding of the electronic modulations in the family of transition-metal dichalcogenides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Symmetry breaking forms split-off flat bands in quantum oxides controlling metal versus insulator phases

The crystal structure used as input to electronic structure calculation of conventionally bonded solids consists primarily of the standard crystallographic degrees of freedom. Quantum solids sometimes have additional microscopic degrees of freedom (m-DOF) nested within the crystallographic structure. These might include local motifs including positional (Peierls dimers, deformed octahedra, Jahn-Teller distortions), magnetic (local moment configurations) and dipolar (local ferroelectric configurations). Such motifs can be observed experimentally via local probes that avoid averaging, and theoretically as distinct total energy lowering features relative to more simplified “average crystallographic structures”. Here we examine the ability of electronic structure methods independent of strong correlation physics to explain the broad phenomenology of metal-insulator selectivity in quantum oxides by energy-lowering symmetry breaking. We do this by avoiding the restriction of considering only (i) electron-electron interactions in a fixed unresponsive lattice—as done in Mott strong correlation explanations—allowing, however, (ii) local positional and magnetic motifs that coexist within a crystallographic landscape. We find in a broad range of quantum oxides with different symmetry breaking modes the formation of split-off flat bands that can also control metallic versus insulating characteristics. The split-off band effect is common to magnetic and non-magnetic materials, including both binary and ternary oxides. One finds that when such local symmetry breaking motifs are considered in mean-field-like (e.g. density functional theory) electronic structure calculations of quantum oxides, they explain many of the observed trends in metal vs insulator phases discussed otherwise in prior literature via strong correlation in symmetry unbroken view.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Towards the QED beta function and renormalons at $1/N_f^2$ and $1/N_f^3$

We determine the 1 / N f 2 and 1 / N f 3 contributions to the QED beta function stemming from the closed set of nested diagrams. At the order of 1 / N f 2 , we discover a new logarithmic branch cut closer to the origin when compared to the 1 / N f results. The same singularity location appears at 1 / N f 3 , and these correspond to a UV renormalon singularity in the finite part of the photon two-point function.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Discrimination of electronic recoils from nuclear recoils in two-phase xenon time projection chambers

We present a comprehensive analysis of electronic recoil vs. nuclear recoil discrimination in liquid/gas xenon time projection chambers, using calibration data from the 2013 and 2014-16 runs of the Large Underground Xenon (LUX) experiment. We observe strong charge-to-light discrimination enhancement with increased event energy. For events with S1 = 120 detected photons, i.e. equivalent to a nuclear recoil energy of ~100 keV, we observe an electronic recoil background acceptance of <10 –5 at a nuclear recoil signal acceptance of 50%. We also observe modest electric field dependence of the discrimination power, which peaks at a field of around 300 V/cm over the range of fields explored in this study (50-500 V/cm). In the WIMP search region of S1 = 1-80 phd, the minimum electronic recoil leakage we observe is (7.3 ± 0.6) 10 –4 , which is obtained for a drift field of 240-290 V/cm. Pulse shape discrimination is utilized to improve our results, and we find that, at low energies and low fields, there is an additional reduction in background leakage by a factor of up to 3. We develop an empirical model for recombination fluctuations which, when used alongside the Noble Element Scintillation Technique (NEST) simulation package, correctly reproduces the skewness of the electronic recoil data. We use this updated simulation to study the width of the electronic recoil band, finding that its dominant contribution comes from electron-ion recombination fluctuations, followed in magnitude of contribution by fluctuations in the S1 signal, fluctuations in the S2 signal, and fluctuations in the total number of quanta produced for a given energy deposition.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Atmospheric neutrinos in next-generation xenon and argon dark matter experiments

In this work, we study the sensitivity of future xenon- and argon-based dark matter and neutrino detection experiments to low-energy atmospheric neutrinos. Not accounting for experimental backgrounds, the primary obstacle for identifying nuclear recoils induced by atmospheric neutrinos in xenon is the tail of the electron recoil distribution due to pp solar neutrinos. We use the NEST code to model the solar and atmospheric neutrino signals in a xenon detector and find that an exposure of 700 tonne-years will produce a 5σ detection of atmospheric neutrinos. We explore the effect of different detector properties and find that a sufficiently long electron lifetime is essential to the success of such a measurement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Phase transitions of correlations in black hole geometries

We study the holographic realization of optimized correlation measures—measures of quantum correlation that generalize elementary entropic formulas—in two-dimensional thermal states dual to spacetimes with a black hole horizon. We consider the symmetric bipartite optimized correlation measures: the entanglement of purification, Q-correlation, R-correlation, and squashed entanglement, as well as the mutual information, a nonoptimized correlation measure, and identify the bulk surface configurations realizing their geometric duals over the parameter space of boundary region sizes and the black hole radius. This parameter space is divided into phases associated with given topologies for these bulk surface configurations, and first-order phase transitions occur as a new topology of bulk surfaces becomes preferred. The distinct phases can be associated with different degrees of correlation between the boundary regions and the thermal environment. The Q-correlation has the richest behavior, with a structure of nested optimizations leading to two topologically distinct bulk surface configurations being equally valid as geometric duals at generic points in the phase diagram.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Two first-order phase transitions in hybrid compact stars: Higher-order multiplet stars, reaction modes, and intermediate conversion speeds

We study compact stars with hybrid equations of state consisting of a nuclear outer region and two nested quark phases, each separated from the lower density phase by a strong first-order phase transition. The stability of these models is determined by calculating their radial oscillation modes with different conversion rates between adjacent phases and hence junction conditions for the modes at the phase separation interface between them. In the case when the timescale of transition is faster than the period of oscillations, we recover the traditional stability criterion implying that ∂M/∂ρ c > 0 on the stable branch(es), where M is the mass and ρ c is the central density. In the opposite limit of slow conversion, we find stable stellar multiplets beyond triplets consisting of stars that are stable by the usual criterion plus slow-conversion (denoted by s) hybrid stars with ∂M/∂ρ c < 0 that are stabilized due to an alternative junction condition on the fluid displacement field at the interface reflecting the slow rate of conversion. We also study the properties of the reaction mode, the radial mode that only exists for stars with rapid (abbreviated by r) phase transitions, in stars with either two rapid phase transitions or alternating rapid and slow phase transitions for the first time. Here, the implications of alternative junction conditions are also examined, with these conditions generally being found to provide stability properties similar to those for a slow conversion rate.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Cornering relative symmetry theories

The symmetry data of a 𝑑-dimensional quantum field theory (QFT) can often be captured in terms of a higher-dimensional symmetry topological field theory. In top-down (i.e., stringy) realizations of this structure, the QFT in question is localized in a higher-dimensional bulk. In many cases of interest, however, the associated (𝑑+1)-dimensional bulk is not fully gapped and one must instead consider a filtration of theories to reach a gapped bulk in 𝐷 =𝑑 + 𝑚 dimensions. Overall, this leads us to a nested structure of relative symmetry theories which descend to coupled edge modes, with the original QFT degrees of freedom localized at a corner of this 𝐷-dimensional bulk system. We present a bottom-up characterization of this structure and also show how it naturally arises in a number of string-based constructions of QFTs with both finite and continuous symmetries.

M-theory↗