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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Wilsonian effective field theory of two-dimensional Van Hove singularities

We study two-dimensional fermions with a short-range interaction in the presence of a Van Hove singularity. It is shown that this system can be consistently described by an effective field theory whose Fermi surface is subdivided into regions as defined by a factorization scale, and that the theory is renormalizable in the sense that all of the counterterms are well defined in the IR limit. The theory has the unusual feature that the renormalization-group equation for the coupling has an explicit dependence on the renormalization scale, much as in theories of Wilson lines. In contrast to the case of a round Fermi surface, there are multiple marginal interactions with nontrivial RG flow. The Cooper instability remains strongest in the BCS channel. Here, we also show that the marginal Fermi-liquid scenario for the quasiparticle width is a robust consequence of the Van Hove singularity. Our results are universal in the sense that they do not depend on the detailed properties of the Fermi surface away from the singularity.

2-dimensional systems↗
DOE OSTI2023

Multi-$\mathcal{k}$ magnetic structure and large anomalous Hall effect in candidate magnetic Weyl semimetal NdAlGe

Here, the magnetic structure, magnetoresistance (MR), and Hall effect of the noncentrosymmetric magnetic semimetal NdAlGe are investigated, revealing an unusual magnetic state and anomalous transport properties that are associated with the electronic structure of this compound. The magnetization and MR measurements are both highly anisotropic and indicate an Ising-like magnetic system. The magnetic structure is complex in that it involves two magnetic ordering vectors, including an incommensurate spin density wave and commensurate ferrimagnetic state in zero field. We have discovered a large anomalous Hall conductivity that reaches ≈430 Ω –1 cm –1 , implying that it originates from an intrinsic Berry curvature effect stemming from Weyl nodes found in the electronic structure. These electronic structure calculations indicate the presence of nested Fermi surface pockets with nesting wave vectors like the measured magnetic ordering wave vector and the presence of Weyl nodes in proximity to the Fermi surface. We associate the incommensurate magnetic structure with the large anomalous Hall response to be the result of the combination of Fermi surface nesting and the Berry curvature associated with Weyl nodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Precise Experimental Test of the Luttinger Theorem and Particle-Hole Symmetry for a Strongly Correlated Fermionic System

A fundamental concept in physics is the Fermi surface, the constant-energy surface in momentum space encompassing all the occupied quantum states at absolute zero temperature. In 1960, Luttinger postulated that the area enclosed by the Fermi surface should remain unaffected even when electron-electron interaction is turned on, so long as the interaction does not cause a phase transition. Understanding what determines the Fermi surface size is a crucial and yet unsolved problem in strongly interacting systems such as high-$T_c$ superconductors. Here we present a precise test of the Luttinger theorem for a two-dimensional Fermi liquid system where the exotic quasiparticles themselves emerge from the strong interaction, namely, for the Fermi sea of composite fermions (CFs). Via direct, geometric resonance measurements of the CFs’ Fermi wave vector down to very low electron densities, we show that the Luttinger theorem is obeyed over a significant range of interaction strengths, in the sense that the Fermi sea area is determined by the density of the minority carriers in the lowest Landau level. Our data in this work also address the ongoing debates on whether or not CFs obey particle-hole symmetry, and if they are Dirac particles. We find that particle-hole symmetry is obeyed, but the measured Fermi sea area differs quantitatively from that predicted by the Dirac model for CFs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Coexistence of Weyl physics and planar defects in the semimetals TaP and TaAs

We report a structural study of the Weyl semimetals TaAs and TaP, utilizing diffraction and imaging techniques, where we show that they contain a high density of defects, leading to nonstoichiometric single crystals of both semimetals. Despite the observed defects and nonstoichiometry on samples grown using techniques already reported in the literature, de Haas–van Alphen measurements on TaP reveal quantum oscillations and a high carrier mobility, an indication that the crystals are of quality comparable to those reported elsewhere. Electronic structure calculations on TaAs reveal that the position of the Weyl points relative to the Fermi level shift with the introduction of vacancies and stacking faults. In the case of vacancies the Fermi surface becomes considerably altered, while the effect of stacking faults on the electronic structure is to allow the Weyl pockets to remain close to the Fermi surface. The observation of quantum oscillations in a nonstoichiometric crystal and the persistence of Weyl fermion pockets near the Fermi surface in a crystal with stacking faults point to the robustness of these quantum phenomena in these materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Multi-band effects in in-plane resistivity anisotropy of strain-detwinned disordered Ba(Fe 1–x Ru x ) 2 As 2

In-plane resistivity anisotropy was measured in strain-detwinned as-grown and partially annealed samples of isovalently-substituted Ba(Fe 1-x Ru x ) 2 As 2 (0 < x $\leqslant$ 0.125) and the results were contrasted with previous reports on anneal samples with low residual resistivity. In samples with high residual resistivity, detwinned with application of strain, the difference of the two components of in-plane resistivity in the orthorhombic phase, p a -p b , was found to obey Matthiessen rule irrespective of sample composition, which is in stark contrast with observations on annealed samples. Our findings are consistent with two-band transport model in which contribution from high mobility carriers of small pockets of the Fermi surface has negligible anisotropy of residual resistivity and is eliminated by disorder. Our finding suggests that magnetic/nematic order has dramatically different effect on different parts of the Fermi surface. In conclusion, it predominantly affects inelastic scattering for small pocket high mobility carriers and elastic impurity scattering for larger sheets of the Fermi surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Magnetization orientation-dependent Shubnikov-de Haas oscillations in ferromagnetic Weyl semimetal Co 3 Sn 2 S 2

We report a study of Shubnikov–de Haas oscillations in high-quality single crystals of ferromagnetic Weyl semimetal Co 3 Sn 2 S 2 . The Fermi surfaces resolved in our experiments are three-dimensional and reflect an underlying trigonal crystallographic symmetry. Combined with density functional calculations, we identify that multiple Fermi surfaces in the system—of both electron and hole nature—arise from the energy dispersion of the (spin-orbit gapped) mirror-protected nodal rings. We observe an evolution of the Fermi surfaces with in-plane magnetic fields, in contrast to field perpendicular to the kagome lattice planes, which has little effect. Viewed alongside the easy-axis anisotropy of the system, our observation reveals an evolution of the electronic structure of Co 3 Sn 2 S 2 —including the Weyl points—with the ferromagnetic moment orientation. Through the case study of Co 3 Sn 2 S 2 , our results provide concrete experimental evidence of an anisotropic interplay via spin-orbit coupling between the magnetic degrees of freedom and electronic band singularities, which has long been expected in semimetallic and metallic magnetic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Theory of a continuous bandwidth-tuned Wigner-Mott transition

Here we develop a theory for a continuous bandwidth-tuned transition at fixed fractional electron filling from a metal with a generic Fermi surface to a “Wigner-Mott” insulator that spontaneously breaks crystalline space-group symmetries. Across the quantum critical point, (i) the entire electronic Fermi surface disappears abruptly upon approaching from the metallic side, and (ii) the insulating charge gap and various order parameters associated with the spontaneously broken space-group symmetries vanish continuously upon approaching from the insulating side. Additionally, the insulating side hosts a Fermi surface of neutral spinons. We present a framework for describing such continuous metal-insulator transitions (MITs) and analyze the example of a bandwidth-tuned transition at a filling, $v$=1/6, for spinful electrons on the triangular lattice. By extending the theory to a certain large-$N$ limit, we provide a concrete example of such a continuous MIT and discuss numerous experimental signatures near the critical point. We place our results in the context of recent experiments in moiré transition metal dichalcogenide materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Thermodynamic Signatures of Weyl Fermions in NbP

We present a high magnetic field study of NbP—a member of the monopnictide Weyl semimetal (WSM) family. While the monoarsenides (NbAs and TaAs) have topologically distinct left and right-handed Weyl fermi surfaces, NbP is argued to be “topologically trivial” due to the fact that all pairs of Weyl nodes are encompassed by a single Fermi surface. We use torque magnetometry to measure the magnetic response of NbP up to 60 tesla and uncover a Berry paramagnetic response, characteristic of the topological Weyl nodes, across the entire field range. At the quantum limit B* (≈32 T), τ/B experiences a change in slope when the chemical potential enters the last Landau level. Our calculations confirm that this magnetic response arises from band topology of the Weyl pocket, even though the Fermi surface encompasses both Weyl nodes at zero magnetic field. We also find that the magnetic field pulls the chemical potential to the chiral n = 0 Landau level in the quantum limit, providing a disorder-free way of accessing chiral Weyl fermions in systems that are “not quite” WSMs in zero magnetic field.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Correlated metals and unconventional superconductivity in rhombohedral trilayer graphene: A renormalization group analysis

Here, motivated by recent experimental observations of correlated metallic phases and superconductivity in rhombohedral trilayer graphene (RTG), we perform an unbiased study of electronic ordering instabilities in hole-doped RTG. Specifically, we focus on electronic states energetically proximate to Van Hove singularities (VHSs), where a large density of states promotes different interaction-induced symmetry-breaking electronic orders. To resolve the Fermi surface near VHSs, we construct a fermionic hot-spot model and demonstrate that a perpendicular electric field can tune different nesting structures of the Fermi surface. Subsequently, we apply a renormalization group analysis to describe the low-energy phase diagrams of our model under both short-range repulsive interactions as well as realistic (long-range) Coulomb interactions. Our analysis shows instabilities towards either intervalley coherent metallic phases or superconducting phases. The dominant pairing channel depends crucially on the nature of Fermi surface nesting—repulsive Coulomb interaction favors spin-singlet d-wave pairing for relatively small displacement field and spin-singlet i-wave pairing for larger displacement field. We argue that the phase diagram of RTG can be well-understood by modeling the realistic Coulomb interaction as the sum of repulsive density-density interaction and ferromagnetic spin-triplet intervalley coherence (IVC) Hund's coupling, while phonon-mediated electronic interactions have a negligible effect on this system, in sharp contrast to twisted graphene multilayers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Magnetoresistance of organic conductors in the vicinity of a topological phase transition

We analyze the effect of magnetic breakdown on the resistance of layered organic conductors with a multisheet Fermi surface consisting of a cylinder and two slightly corrugated planes along the projection of the momentum onto the normal to the layers. Analytic expressions are derived for the charge carrier distribution function, and the dependences of the interlayer and intralayer conductivities on the magnitude and orientation of the external magnetic field in the immediate vicinity of a topological phase transition are determined when the distance between the different sheets of the Fermi surface is quite small, but the topological structure of the Fermi surface is still intact.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Bulk and isospin instabilities in hot nuclear matter

We report the instability of hot asymmetric nuclear matter with respect to bulk density distortions is considered. The equation of state of extended Thomas-Fermi approximation (ETFA) is used. The origin of the anomalous dispersion and the influence of the Fermi-surface distortion effects on the bulk and isospin instabilities in homogenous nuclear matter are investigated. It is shown that the development of both instabilities is significantly reduced due to the Fermi surface distortion effects. The dependence of the bulk instability on the temperature and on the multipolarity of the particle density distortions are shown for the 208 Pb nucleus. The dependence of the formation of the decay modes (fission or multifragmentation) of nuclei on the temperature and the Fermi-surface distortion effects are demonstrated. It is shown that in the case of low temperatures the preferable mode for the bulk instability is binary fission. For higher temperature, the preferred modes are the multifragmentations to small clusters. The number of clusters increases with increasing temperature.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

A First-Principle Calculation and de Haas-van Alphen Effect Simulation in Superconductor LaNiC{sub 2}

In this article the electronic structure and de Haas-van Alphen effect of LaNiC{sub 2} have been calculated by using the first-principle calculations. The antisymmetric spin-orbit coupling effect causes splitting estimated to be 62.9 and 27.5 meV in the two bands crossing the Fermi level. Regular translations between spin-up and spin-down states have been observed and calculated in discrete ranges of energy. Spin-orbit coupled Fermi surfaces are derived and the related de Hass-van Alphen effects have been simulated from the ELK-flapw calculations. The unusual disconnections in low-frequency area have been discussed in details. The Fermi surface topology of spin-up (l + 1/2) is very different from that of spin-down (l − 1/2) which is also evident by the proportions of electron-like bands. Finally the relationship between simulation results and Fermi surface details has been discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Observation of non-Fermi liquid behavior in hole-doped LiFe 1-x V x As

Here we synthesized a series of V-doped LiFe 1₋x V x As single crystals. The superconducting transition temperature T c of LiFeAs decreases rapidly at a rate of 7 K per 1% V. The Hall coefficient of LiFeAs switches from negative to positive with 4.2% V doping, showing that V doping introduces hole carriers. This observation is further confirmed by the evaluation of the Fermi surface volume measured by angle-resolved photoemission spectroscopy (ARPES), from which a 0.3 hole doping per V atom introduced is deduced. Interestingly, the introduction of holes does not follow a rigid band shift. We also show that the temperature evolution of the electrical resistivity as a function of doping is consistent with a crossover from a Fermi liquid to a non-Fermi liquid. Our ARPES data indicate that the non-Fermi liquid behavior is mostly enhanced when one of the hole d xz /dyz Fermi surfaces is well nested by the antiferromagnetic wave vector to the inner electron Fermi surface pocket with the d xy orbital character. In conclusion, the magnetic susceptibility of LiFe 1₋x V x As suggests the presence of strong magnetic impurities following V doping, thus providing a natural explanation to the rapid suppression of superconductivity upon V doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Enhancement of the effective mass at high magnetic fields in CeRhIn 5

The Kondo-lattice compound CeRhIn 5 displays a field-induced Fermi surface reconstruction at B*≈ 30 T, which occurs within the antiferromagnetic state, prior to the quantum critical point at B c0 ≈ 50 T. Here, in order to investigate the nature of the Fermi surface change, we measured the magnetostriction, specific heat, and magnetic torque of CeRhIn 5 across a wide range of magnetic fields. Our observations uncover the field-induced itineracy of the 4 f electrons, where above B onset ≈ 17 T there is a significant enhancement of the Sommerfeld coefficient, and spin-dependent effective cyclotron masses determined from quantum oscillations. Upon crossing B onset , the temperature dependence of the specific heat also shows distinctly different behavior from that at low fields. Finally, our results indicate that the Kondo coupling is remarkably robust upon increasing the magnetic field. This is ascribed to the delocalization of the 4 f electrons at the Fermi surface reconstruction at B*.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Skutterudites under pressure: An ab initio study

Ab initio results on the band structure, density of states, and Fermi surface (FS) properties of LaRu{sub 4}X{sub 12} (X = P, As, Sb) are presented at ambient pressure as well as under compression. The analysis of density of states reveals the major contribution at the Fermi level to be mainly from the Ru-d and X-p states. We have a complicated Fermi surface with both electron and hole characters for all the three compounds which is derived mainly from the Ru-d and X-p states. There is also a simpler FS with hole character derived from the P-p{sub z} orbital for LaRu{sub 4}P{sub 12} and Ru-d{sub z{sup 2}} orbital in the case of As and Sb containing compounds. More interestingly, Fermi surface nesting feature is observed only in the case of the LaRu{sub 4}P{sub 12}. Under compression, we observe the topology of the complicated FS sheet of LaRu{sub 4}As{sub 12} to change around V/V{sub 0} = 0.85, leading to a behaviour similar to that of a multiband superconductor, and in addition, we have two more hole pockets centered around Γ at V/V{sub 0} = 0.8 for the same compound. Apart from this, we find the hole pocket to vanish at V/V{sub 0} = 0.8 in the case of LaRu{sub 4}Sb{sub 12} and the opening of the complicated FS sheet gets reduced. The de Haas van Alphen calculation shows the number of extremal orbits in the complicated sheet to change in As and Sb containing compounds under compression, where we also observe the FS topology to change.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Strong and fragile topological Dirac semimetals with higher-order Fermi arcs

Abstract Dirac and Weyl semimetals both exhibit arc-like surface states. However, whereas the surface Fermi arcs in Weyl semimetals are topological consequences of the Weyl points themselves, the surface Fermi arcs in Dirac semimetals are not directly related to the bulk Dirac points, raising the question of whether there exists a topological bulk-boundary correspondence for Dirac semimetals. In this work, we discover that strong and fragile topological Dirac semimetals exhibit one-dimensional (1D) higher-order hinge Fermi arcs (HOFAs) as universal, direct consequences of their bulk 3D Dirac points. To predict HOFAs coexisting with topological surface states in solid-state Dirac semimetals, we introduce and layer a spinful model of an s – d -hybridized quadrupole insulator (QI). We develop a rigorous nested Jackiw–Rebbi formulation of QIs and HOFA states. Employing ab initio calculations, we demonstrate HOFAs in both the room- ( α ) and intermediate-temperature ( α ″ ) phases of Cd 3 As 2 , KMgBi, and rutile-structure ( $$ \beta ^{\prime} $$ β ′ -) PtO 2 .

Science & Technology - Other Topics↗
DOE OSTI2020

Topological ultranodal pair states in iron-based superconductors

Abstract Bogoliubov Fermi surfaces are contours of zero-energy excitations that are protected in the superconducting state. Here we show that multiband superconductors with dominant spin singlet, intraband pairing of spin-1/2 electrons can undergo a transition to a state with Bogoliubov Fermi surfaces if spin-orbit coupling, interband pairing and time reversal symmetry breaking are also present. These latter effects may be small, but drive the transition to the topological state for appropriate nodal structure of the intra-band pair. Such a state should display nonzero zero-bias density of states and corresponding residual Sommerfeld coefficient as for a disordered nodal superconductor, but occurring even in the pure case. We present a model appropriate for iron-based superconductors where the topological transition associated with creation of a Bogoliubov Fermi surface can be studied. The model gives results that strongly resemble experiments on FeSe 1− x S x across the nematic transition, where this ultranodal behavior may already have been observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Mesoscopic finite-size effects of unconventional electron transport in PdCoO 2

A wide range of unconventional transport phenomena has recently been observed in single-crystal delafossite metals. Here, we present a theoretical framework to elucidate electron transport using a combination of first-principles calculations and numerical modeling of the anisotropic Boltzmann transport equation. Using PdCoO 2 as a model system, we study different microscopic electron and phonon scattering mechanisms and establish the mean free path hierarchy of quasiparticles at different temperatures. We treat the anisotropic Fermi surface explicitly to numerically obtain experimentally-accessible transport observables, which bridge between the “diffusive,” “ballistic,” and “hydrodynamic” transport regime limits. Further, we illustrate that the distinction between the “quasiballistic” and “quasihydrodynamic” regimes is challenging and often needs to be quantitative in nature. From first-principles calculations, we populate the resulting transport regime plots and demonstrate how the Fermi surface orientation adds complexity to the observed transport signatures in micrometer-scale devices. Our work provides key insights into microscopic interaction mechanisms on open hexagonal Fermi surfaces and establishes their connection to the macroscopic electron transport in finite-size channels.

36 MATERIALS SCIENCE↗