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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Extreme Fermi Surface Smearing in a Maximally Disordered Concentrated Solid Solution

We show that the Fermi surface can survive the presence of extreme compositional disorder in the equiatomic alloy Ni 0.25 Fe 0.25 Co 0.25 Cr 0.25 . Our high-resolution Compton scattering experiments reveal a Fermi surface which is smeared across a significant fraction of the Brillouin zone (up to 40% of $\frac{2π}{a}$). The extent of this smearing and its variation on and between different sheets of the Fermi surface have been determined, and estimates of the electron mean free path and residual resistivity have been made by connecting this smearing with the coherence length of the quasiparticle states.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Revealing a 3D Fermi Surface Pocket and Electron-Hole Tunneling in UTe 2 with Quantum Oscillations

Spin triplet superconductor UTe 2 is widely believed to host a quasi-two-dimensional Fermi surface, revealed by first-principles calculations, photoemission and quantum oscillation measurements. An outstanding question still remains as to the existence of a three-dimensional Fermi surface pocket, which is crucial for our understanding of the exotic superconducting and topological properties of UTe 2 . This 3D Fermi surface pocket appears in various theoretical models with different physics origins, but has not been unambiguously detected in experiment. Here, in this study, for the first time we provide concrete evidence for a relatively isotropic, small Fermi surface pocket of UTe 2 via quantum oscillation measurements. In addition, we observed high frequency quantum oscillations corresponding to electron-hole tunneling between adjacent electron and hole pockets. The coexistence of 2D and 3D Fermi surface pockets, as well as the breakdown orbits, provides a test bed for theoretical models and aid the realization of a unified understanding of superconducting state of UTe 2 from the first-principles approach.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Quasi-two-dimensional Fermi surface of superconducting line-nodal metal CaSb 2

We report on the Fermi surfaces and superconducting parameters of CaSb 2 single crystals (superconducting below T c ~1.8K) grown by the self-flux method. The frequency of de Haas–van Alphen and Shubnikov–de Haas oscillations evidences a quasi-two-dimensional (quasi-2D) Fermi surface, consistent with one of the Fermi surfaces forming Dirac lines predicted by first-principles calculations. Measurements in the superconducting state reveal that CaSb 2 is close to a type-I superconductor with the Ginzburg-Landau parameter of around unity. The temperature dependence of the upper critical field H c2 is well described by a model considering two superconducting bands, and the enhancement of the effective mass estimated from H c2 (0K) is consistent with the quasi-2D band observed by the quantum oscillations. Our results indicate that a quasi-2D band forming Dirac lines contributes to the superconductivity in CaSb 2 .

36 MATERIALS SCIENCE↗
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 OSTI2021

Using Disorder to Identify Bogoliubov Fermi-Surface States

We argue that a superconducting state with a Fermi surface of Bogoliubov quasiparticles, a Bogoliubov Fermi surface (BG-FS), can be identified by the dependence of physical quantities on disorder. In particular, we show that a linear dependence of the residual density of states at weak disorder distinguishes a BG-FS state from other nodal superconducting states. We further demonstrate the stability of supercurrent against impurities and a characteristic Drude-like behavior of the optical conductivity. Our results can be directly applied to electron irradiation experiments on candidate materials of BG-FSs, including Sr 2 RuO 4 , FeSe 1-x S x , and UBe 13 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

First-principles study of electronic structure and Fermi surface in semimetallic YAs

In the course of searching for new systems, which exhibit nonsaturating and extremely large positive magnetoresistance, electronic structure, Fermi surface, and de Haas-van Alphen characteristics of the semimetallic YAs compound were studied using the all-electron full-potential linearized augmented-plane wave (FP–LAPW) approach in the framework of the generalized gradient approximation (GGA). In the scalar-relativistic calculation, the cubic symmetry splits fivefold degenerate Y- d orbital into low-energy threefold-degenerate and twofold degenerate doublet states at point around the Fermi energy. Furthermore one of them, together with the threefold degenerate character of As-p orbital, render the YAs semimetal with a topologically trivial band order and fairly low density of states at the Fermi level. Including spin–orbit (SO) coupling into the calculation leads to pronounced splitting of the state and shifting the bands in the energy scale. Consequently, the determined four different 3-dimensional Fermi surface sheets of YAs consists of three concentric hole-like bands at and one ellipsoidal electron-like sheet centred at the X points. In full accordance with the previous first-principles calculations for isostructural YSb and YBi, the calculated Fermi surface of YAs originates from fairly compensated multi-band electronic structures.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Broken rotational symmetry on the Fermi surface of a high-Tc superconductor

Broken fourfold rotational (C 4 ) symmetry is observed in the experimental properties of several classes of unconventional superconductors. It has been proposed that this symmetry breaking is important for superconducting pairing in these materials, but in the high-T c cuprates this broken symmetry has never been observed on the Fermi surface. Here we report a pronounced anisotropy in the angle dependence of the interlayer magnetoresistance of the underdoped high transition temperature (high-T c ) superconductor YBa 2 Cu 3 O 6.58 , directly revealing broken C 4 symmetry on the Fermi surface. Moreover, we demonstrate that this Fermi surface has C 2 symmetry of the type produced by a uniaxial or anisotropic density-wave phase. This establishes the central role of C 4 symmetry breaking in the Fermi surface reconstruction of YBa 2 Cu 3 O 6+δ , and suggests a striking degree of universality among unconventional superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Fermi surface topology and nontrivial Berry phase in the flat-band semimetal Pd 3 Pb

A study of the Fermi surface of the putative topological semimetal Pd 3 Pb has been carried out using Shubnikov–de Haas (SdH) oscillations measured in fields of up to 60 T. Pd 3 Pb has garnered attention in the community due to a peculiar Fermi surface that has been proposed theoretically by Ahn, Pickett, and Lee, Phys. Rev. B 98 , 035130 (2018) to host a dispersionless band along X - Γ as well as multiple triply degenerate band crossings that, under the influence of spin-orbit coupling, lead to ten fourfold degenerate Dirac points. Analysis of the SdH oscillation data verifies the calculated multisheet Fermi surface, revealing a Γ centered spheroid that had not been resolved experimentally in prior studies. A comprehensive, angle-dependent analysis of the phase of the SdH oscillations convincingly demonstrates a nontrivial Berry phase for two bands along Γ - R , supporting the theoretical predictions, while simultaneously evidencing interference between extremal orbits that mimics a trivial Berry phase at intermediate angles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

The Second Boundaries of Stability Zones and the Angular Diagrams of Conductivity for Metals Having Complicated Fermi Surfaces

We consider some general aspects of dependence of magneto-conductivity on a magnetic field in metals having complicated Fermi surfaces. As it is well known, a nontrivial behavior of conductivity in metals in strong magnetic fields is connected usually with appearance of non-closed quasiclassical electron trajectories on the Fermi surface in a magnetic field. The structure of the electron trajectories depends strongly on the direction of the magnetic field and usually the greatest interest is caused by open trajectories that are stable to small rotations of the direction of B. The geometry of the corresponding Stability Zones on the angular diagram in the space of directions of B represents a very important characteristic of the electron spectrum in a metal linking the parameters of the spectrum to the experimental data. Here we will consider some very general features inherent in the angular diagrams of metals with Fermi surfaces of the most arbitrary form. In particular, we will show here that any Stability Zone actually has a second boundary, restricting a larger region with a certain behavior of conductivity. Besides that, we shall discuss here general questions of complexity of the angular diagrams for the conductivity and propose a theoretical scheme for dividing the angular diagrams into “simple” and “complex” diagrams. The proposed scheme will in fact also be closely related to behavior of the Hall conductivity in a metal in strong magnetic fields. In conclusion, we will also discuss the relationship of the questions under consideration to the general features of an (abstract) angular diagram describing the behavior of quasiclassical electron trajectories at all energy levels in the conduction band.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Temperature-driven changes in the Fermi surface of graphite

Here we report on temperature-dependent size and anisotropy of the Fermi pockets in graphite revealed by magnetotransport measurements. The magnetoresistances (MRs) obtained in fields along the c axis obey an extended Kohler's rule, with the carrier density following the prediction of a temperature-dependent Fermi energy, indicating a change in the Fermi pocket size with temperature. The angle-dependent magnetoresistivities at a given temperature exhibit a scaling behavior. The scaling factor that reflects the anisotropy of the Fermi surface is also found to vary with temperature. Our results demonstrate that temperature-driven changes in Fermi surface can be ubiquitous and need to be considered in understanding the temperature-dependent carrier density and MR anisotropy in semimetals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Magnetic field-induced Fermi surface reconstruction and quantum criticality in CeRhIn 5

Here, we present detailed results of the field evolution of the de Haas–van Alphen (dHvA) effect in CeRhIn 5 . A magnetic field-induced reconstruction of the Fermi surface is clearly shown to occur inside the antiferromagnetic state, in an applied field of around B* ≃ 30 T, which is evidenced by the appearance of several new dHvA branches. The angular dependence of the dHvA frequencies reveals that the Fermi surfaces of CeRhIn 5 at B > B* and CeCoIn 5 are similar. The results suggest that the Ce-4f electrons in become itinerant at B > B* due to the Kondo effect, prior to the field-induced quantum critical point (QCP) at B c0 ≃ 50 T. The electronic states at the field-induced QCP are therefore different from that of the pressure-induced QCP where a dramatic Fermi surface reconstruction occurs exactly at the critical pressure, indicating that multiple types of QCP may exist in CeRhIn 5 .

36 MATERIALS SCIENCE↗
DOE OSTI2018

Zeeman-induced gapless superconductivity with a partial Fermi surface

We show that an in-plane magnetic field can drive two-dimensional spin-orbit-coupled systems under the superconducting proximity effect into a gapless phase where parts of the normal state Fermi surface are gapped, and the ungapped parts are reconstructed into a small Fermi surface of Bogoliubov quasiparticles at zero energy. As a result, the charge distribution, spin texture, and density of states of such a “partial Fermi surface” are discussed. Material platforms for its physical realization are proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Collapsing of spin-split Fermi surfaces in the magnetic Weyl semimetal candidate EuAuSb

EuAuSb is a magnetic Weyl semimetal candidate that exhibits in-plane ferromagnetic ordering and a helical magnetic order across the plane at temperatures below 3.9 K. These magnetic characteristics can drive an interaction-induced reconstruction of the Fermi surface. Here, we report a rare instance of Fermi surface splitting and collapsing driven by exchange coupling, as revealed by strongly temperature-dependent quantum oscillation frequencies in EuAuSb. Shubnikov–de Haas measurements reveal two distinct quantum oscillation frequencies (𝐹 𝛼 = 80 T and 𝐹 𝛽 = 165 T) at 2 K. As the temperature increases toward 40 K, the oscillation peaks at these two frequencies gradually merge into a single peak centered around 128 T. This behavior signifies the collapse of the spin-split Fermi surfaces, driven by the weakening of short-range magnetic correlations and the exchange coupling between conduction electrons and local magnetic moments as temperature increases. Furthermore, our results are further supported by density functional theory calculations, angle-resolved photoemission spectroscopy, and magnetization measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Three-dimensional Fermi surface and small effective masses in Mo 8 Ga 41

We report Fermi surface characteristics of Mo 8 Ga 41 , a two-gap superconductor with critical temperature T c ~10 K, obtained from quantum oscillation measurements. Four major frequencies have been observed with relatively small quastiparticle masses. Angular dependence of major frequencies indicates three-dimensional Fermi surface sheets. This argues for a relatively isotropic superconducting state and, given its relatively high T c , shows that a search for new materials in this class could be of interest for superconducting wire applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Effects of chemical disorder and spin-orbit coupling on the electronic-structure and Fermi-surface topology of YbSb-based monopnictides

Here, in this work, we study the influence of disorder on the electronic structure of YbSb—a rare-earth monopnictide featuring a simple rocksalt (B1) crystal structure and a well-defined Fermi-surface topology—by employing first-principles density-functional theory. We focus on chemical disorder introduced through Te and Al doping, selected based on their thermodynamic stability in alloyed configurations, to understand how such perturbations modify the electronic states of YbSb. Our results indicate that Te doping predominantly introduces electronlike states at the 𝑋 and 𝐿 points, while Al doping leads to a suppression of holelike states at Γ, effectively driving the system from a semimetallic state to one characterized by very narrow-gap behavior at Γ. This modulation of the Fermi surface, particularly the reduction of central hole pockets at Γ, plays a central role in altering interpocket scattering—a mechanism critical for tuning quantum transport properties, including superconductivity. This disorder-driven modulation of the Fermi surface, particularly the suppression of central hole pockets at Γ, controls interpocket scattering, which is essential for optimizing quantum transport properties, including superconductivity. Our results show that disorder can be effectively used for engineering band topology, thereby tuning quantum related response through a tailored electronic structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Bogoliubov Fermi surfaces in spin-$\frac{1}{2}$ systems: Model Hamiltonians and experimental consequences

Bogoliubov Fermi surfaces (BFSs) are topologically protected regions of zero energy excitations in a superconductor whose dimension equals that of the underlying normal state Fermi surface. Examples of Hamiltonians exhibiting this “ultranodal” phase are known to preserve charge-conjugation ($\textit{C}$) and parity ($\textit{P}$) but break time-reversal ($\textit{T}$). In this work, we provide examples of model Hamiltonians that do not necessarily preserve this symmetry pattern but have well-defined sign-changing Pfaffians yielding BFSs. While their topological character has not been recognized previously, some of the models we present have been extensively studied in prior literature. Here, we further examine thermodynamic and electronic properties arising from the ultranodal state. In particular, we study the effect of a weak Zeeman field close to the topological transition and propose distinguishing features of BFSs using residual specific heat and tunneling conductance. Our calculation of the superfluid density in a toy multiband model indicates a window of interband pairing strength where BFSs are stable with a positive superfluid density. We also present additional signatures of BFSs in spin-polarized spectral weight and total magnetization measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗