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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Reduced electronic correlation effects in half substituted Ba(Fe 1-x Co x ) 2 As 2

In this work, we report a comprehensive study of the tridimensional nature and orbital character of the low-energy electronic structure in 50% Cobalt doped Ba(Fe 1-x Co x ) 2 As 2 ( d 6.5 ), by using polarization- and photon energy-dependent angle-resolved photoemission spectroscopy. An extra electron-like Fermi surface is observed around the Brillouin zone boundary compared with isoelectronic K y Fe 2-x Se 2 ( d 6.5 ). The bands near the Fermi level (E F ) are mainly derived from Fe/Co 3 d t 2g orbitals, revealing visible dispersions along the k z direction. In combination with the local density approximation and the dynamical mean-field theory calculations, we find that the As 4 p bands are non-renormalized and the whole 3d band needs to be renormalized by a “single” factor of ~1.6, indicating moderate electronic correlation effects. The “single” factor description of the correlation strength among the different 3 d orbitals is also in sharp contrast to orbital-dependent correlation effects in BaFe 2 As 2 . Our findings indicate a remarkable reduction of correlation effects with little difference among 3 d orbitals in BaFeCoAs 2 , due to the increased filling of the electronic 3 d shell in the presence of significant Hund's coupling. Finally, the results support that the electronic correlation effects and multiple orbital physics play an important role in the superconductivity of the 122 system and in other ferropnictides.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electronic and topological properties of the van der Waals layered superconductor PtTe

We report the crystal growth and structural and electronic properties of superconducting, van der Waals layered PtTe. Easily cleavable crystals with a platelike morphology consistent with the layered structure were grown from a platinum-rich flux. A consistent determination of T c = 0.57 K is made from the onset of diamagnetism, the zero of resistivity, and the midpoint of the heat-capacity jump. The observed behavior is consistent with type-II superconductivity, with upper critical field at T = 0 estimated using the Werthamer-Helfand-Hohenberg theory to be 143 and 65 Oe for fields out of and in the plane, respectively. The heat-capacity discontinuity is close to the weak-coupling BCS value. Density-functional theory calculations and analysis of the electronic structure finds that PtTe is a topological semimetal with numerous surface states but suggests that the superconducting state itself may be topologically trivial. Additionally, angle-resolved photoemission spectroscopy reveals a normal-state Fermi surface in remarkable agreement with theory and confirms the overall topological nature of the material by experimental identification of the surface bands. Together, these findings identify PtTe as an interesting example of a cleavable, topological, and superconducting material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Electronic origin of half-metal to semiconductor transition and colossal magnetoresistance in spinel HgCr 2 Se 4

Half metals are ferromagnets hosting spin-polarized conducting carriers and are crucial for spintronics applications. The chromium spinel HgCr 2 Se 4 represents a unique type of half-metal, which features a half-metal to semiconductor transition (HMST) and exhibits colossal magnetoresistance (CMR) across the ferromagnetic-paramagnetic (FM-PM) transition. Here, using angle-resolved photoemission spectroscopy, we find that the Fermi surface of n-type HgCr 2 Se 4 (n–HgCr 2 Se 4 ) consists of a single electron pocket which moves above the Fermi level (E F ) upon the FM-PM transition, leading to the HMST. Such a Lifshitz transition manifests a giant band splitting which originates from the exchange interaction unveiled with a specific chemical nonstoichiometry. The exchange band splitting and the chemical nonstoichiometry are two key ingredients to the HMST and CMR, consistent with our ab initio calculation. Our findings provide spectroscopic evidence of the electronic origin of the anomalous properties of HgCr 2 Se 4 , which address the unique phase transition in half-metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Bulk and surface electronic structure of NiBi 3

Here, we present a high-resolution, angle-resolved photoemission spectroscopy study of the normal electronic state of the superconducting NiBi 3 . Our experimental results show a complex Fermi surface structure with many sheets along the Γ–$\textit{X}$ and Γ–$\textit{Y}$ directions of the Brillouin zone. The band structure presents a topological surface state (TSS) at the high symmetry Γ point with a surface Dirac point at the energy –0.185 eV. The Dirac-like cone presents a linear dispersion along $k_x$ while it presents saddle-like states along $k_y$ located in the vicinity of the surface Dirac point. Our results are in good agreement with results of density functional theory band structure calculations. We also discuss the topological band structure of the NiBi 3 compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Direct spectroscopic evidence for completely filled Cu 3d shell in BaCu 2 As 2 and α-BaCu 2 Sb 2

In this study, we use angle-resolved photoemission spectroscopy to extract the band dispersion and the Fermi surface of BaCu 2 As 2 and α-BaCu 2 Sb 2 . While the Cu 3d bands in both materials are located around 3.5 eV below the Fermi level, the low-energy photoemission intensity mainly comes from As 4p states, suggesting a completely filled Cu 3d shell. The splitting of the As 3d core levels and the lack of pronounced three-dimensionality in the measured band structure of BaCu 2 As 2 indicate a surface state likely induced by the cleavage of this material in the collapsed tetragonal phase, which is consistent with our observation of a Cu +1 oxidation state. However, the observation of Cu states at similar energy in α-BaCu 2 Sb 2 without the pnictide-pnictide interlayer bonding characteristic of the collapsed tetragonal phase suggests that the short interlayer distance in BaCu 2 As 2 follows from the stability of the Cu +1 rather than the other way around. In conclusion, our results confirm the prediction that BaCu 2 As 2 is an sp metal with weak electronic correlations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

In‐Plane Anisotropy in van der Waals NiTeSe Ternary Alloy

Abstract The anisotropic properties of materials profoundly influence their electronic, magnetic, optical, and mechanical behaviors and are critical for a wide range of applications. In this study, the anisotropic characteristics of Ni‐based van der Waals materials, specifically NiTe 2 and its alloy NiTeSe, utilizing a combination of comprehensive scanning tunneling microscopy (STM), angle‐resolved photoemission spectroscopy (ARPES), and density functional theory (DFT) calculations, are explored. Unlike 1T‐NiTe 2 , which exhibits trigonal in‐plane symmetry, the substitution of Te with Se in NiTe 2 (resulting in the NiTeSe alloy) induces a pronounced in‐plane anisotropy. This anisotropy is clear in the STM topographs, which reveal a distinct linear order of charge distribution. Corroborating these observations, ARPES measurements and DFT calculations reveal an anisotropic Fermi surface centered at the point, which is notably elongated along the k y direction, leading to directional variations in in‐plane carrier velocities. Consequently, the Fermi velocity is highest along the k x direction where the linear charge distribution aligns in real space and is lowest along the k y direction. These findings offer valuable insights into the tunability of anisotropic properties in ternary transition metal dichalcogenide systems, highlighting their potential applications in the development of anisotropic electronic and optoelectronic devices.

Chemistry↗
DOE OSTI2023

Exploring the Dirac nature of RbBi 2

Characteristics of topological semimetals such as a nonsaturating magnetoresistance (MR), a field-induced metal to semiconducting crossover and a robust resistivity plateau are observed under a magnetic field in type-I RbBi 2 bulk superconductor with $\mathrm{T}$ c = 4.15 K. The MR exhibits a notable 3500% increase at 2 K and 9 T and the resistivity follows a power law temperature dependence, while the MR ∝ $\mathrm{H}$ 1.26 , indicating weak carrier compensation. Further, first principles calculations provided insights into the dynamical stability of the cubic structure at 0 K. Both hole and electron pockets are observed at the Fermi surface. The electron-phonon interaction constant indicates weak coupling strength (<1) that leads to a maximum predicted $\mathrm{T}$ c of 2.852 K. Just below the Fermi level, E F , the electronic band structure consists of linear band crossings at the $\mathrm{X}$ points in the Brillouin zone (BZ) corresponding to massless, symmetry-protected Dirac fermions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Searching for topological Fermi arcs via quasiparticle interference on a type-II Weyl semimetal MoTe2

Abstract Weyl semimetals display a novel topological phase of matter where the Weyl nodes emerge in pairs of opposite chirality and can be seen as either a source or a sink of Berry curvature. The exotic effects in Weyl semimetals, such as surface Fermi arcs and the chiral anomaly, make them a new playground for exploring novel functionalities. Further exploiting their potential applications requires clear understanding of their topological electronic properties. Here we report a Fourier transform scanning tunneling spectroscopy (FT-STS) study on a type-II Weyl semimetal candidate MoTe 2 whose Weyl points are predicated to be located above Fermi level. Although its electronic structure below the Fermi level has been identified by angle resolved photo emission spectroscopy, by comparing our experimental data with first-principles calculations, we are able to identify the origins of multiple scattering channels both below and above Fermi level. Our calculations also show the existence of both trivial and topological arc-like states above the Fermi energy. In the FT-STS experiments, we have observed strong signals from intra-arc scatterings as well as from the scattering between the arc-like surface states and the projected bulk states. A detailed comparison between our experimental observations and calculated results reveals the trivial and non-trivial scattering channels are difficult to distinguish in this compound. Interestingly, we find that the broken inversion symmetry changes the terminating states on the two inequivalent surfaces, which in turn changes the relative strength of the scattering channels observed in the FT-STS images on the two surfaces.

Iaia, Davide↗
DOE OSTI2020

Probing nuclear effects with neutrino-induced charged-current neutral pion production

We study neutrino-induced charged-current (CC) $\pi^0$ production on carbon nuclei using events with fully imaged final-state proton-$\pi^0$ systems. Novel use of final-state correlations based on transverse kinematic imbalance enable the first measurements of the struck nucleon's Fermi motion, of the intranuclear momentum transfer (IMT) dynamics, and of the final-state hadronic momentum configuration in neutrino pion production. Event distributions are presented for i) the momenta of neutrino-struck neutrons below the Fermi surface, ii) the direction of missing transverse momentum characterizing the strength of IMT, and iii) proton-pion momentum imbalance with respect to the lepton scattering plane. The observed Fermi motion and IMT strength are compared to the previous MINERvA measurement of neutrino CC quasielastic-like production. The measured shapes and absolute rates of these distributions, as well as the cross-section asymmetries show tensions with predictions from current neutrino generator models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Temperature-driven BCS-BEC crossover and Cooper-paired metallic phase in coupled boson-fermion systems

Motivated by strongly correlated and frustrated systems, in this work we propose an effective model that describes the dynamics of pairs of opposite spin fermions scattering from localized bosons. Integrating out one of the degrees, either the bosons or fermions, generates temperature-dependent long-range effective interactions between the entities that we investigate using Monte Carlo techniques. The behavior of bosons is dominated by vortex-antivortex unbinding, with effective interboson interactions beyond the nearest-neighbor Josephson coupling of phases. Remarkably, in the fermion sector we observe a temperature-driven phase transition from a SC phase with a “BCS” spectral function that shows a gap minimum on the underlying Fermi surface to a conducting phase of pairs but with a “BEC” spectral function with a gap minimum at k = 0. Tunneling and angle-resolved photoemission spectroscopy on Bose-Fermi mixtures in cold atomic systems and superconducting islands on graphene are some of the promising experimental platforms to test our predictions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Heavy fermion behavior in the quasi-one-dimensional Kondo lattice CeCo 2 Ga 8

Dimensionality plays an essential role in determining the anomalous non-Fermi liquid properties in heavy fermion systems. So far most heavy fermion compounds are quasi-two-dimensional or three-dimensional. Here we report the synthesis and systematic investigations of the single crystals of the quasi-one-dimensional Kondo lattice CeCo 2 Ga 8 . Resistivity measurements at ambient pressure reveal the onset of coherence at T * ≈ 20 K and non-Fermi liquid behavior with linear temperature dependence over a decade in temperature from 2 to 0.1 K. The specific heat increases logarithmically with lowering temperature between 10 and 2 K and reaches 800 mJ/mol K 2 at 1 K, suggesting that CeCo 2 Ga 8 is a heavy fermion compound in the close vicinity of a quantum critical point. Resistivity measurements under pressure further confirm the non-Fermi liquid behavior in a large temperature–pressure range. The magnetic susceptibility is found to follow the typical behavior for a one-dimensional spin chain from 300 K down to T *, and first-principles calculations predict flat Fermi surfaces for the itinerant f-electron bands. These suggest that CeCo 2 Ga 8 is a rare example of the quasi-one-dimensional Kondo lattice, but its non-Fermi liquid behaviors resemble those of the quasi-two-dimensional YbRh 2 Si 2 family. The study of the quasi-one-dimensional CeCo 2 Ga 8 family may therefore help us to understand the role of dimensionality on heavy fermion physics and quantum criticality.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Electronic structures and pseudogap nature of the strongly correlated Kondo semimetals and insulators CeNiSn and CeRhX(X=As, Sb)

Employing temperature (T)-dependent angle-resolved photoemission spectroscopy (ARPES) near the Ce 4d absorption edge, we have investigated the electronic structures of the strongly correlated Kondo insulators (KIs) and/or Kondo semimetals of CeNiSn and CeRhX (X=As, Sb), which also belong to potential topological KIs (TKIs). Good agreement is found between the Fermi surfaces (FSs) measured at the Ce 4d→4f on resonance and those calculated and unfolded into the Ce-only Brillouin zone, supporting the crucial Ce 4f contribution to the Fermi-edge states in them. While the FSs of CeRhSb and CeNiSn are similar to each other, they are quite different from those of CeRhAs, which is understood to originate from the semimetallic Kondo ground states of CeNiSn and CeRhSb in contrast to the insulating Kondo ground state of CeRhAs. T-dependent ARPES demonstrates the existence of the Kondo resonance above the Fermi level (EF) and its T-driven decoherence in CeNiSn and CeRhSb, and the existence of the Ce 4f Kondo-like peak well below EF with a pseudogap in CeRhAs. With increasing T, the tail of the Kondo resonance in CeNiSn and CeRhSb loses its coherence, whereas the Ce 4f Kondo-like peak in CeRhAs persists up to T≥200 K. The Kondo temperatures (TKs) are estimated via the analysis of T-dependent ARPES, yielding TK≈80 K (CeNiSn), TK≈180 K (CeRhSb), and TK≫200 K (CeRhAs). High-resolution, low-T ARPES confirms the Kondo resonance just above EF in CeNiSn and CeRhSb Kondo semimetals and the KI ground state of CeRhAs with a pseudogap of Δ≈30 meV, demonstrating the importance of the coherent Kondo states in determining their potential topological properties. The differences in the T-dependent ARPES of CeNiSn and CeRhSb suggest the weaker f-c hybridization in CeNiSn than in CeRhSb (c: conduction electron), which is likely due to the more localized Ni 3d orbitals than the delocalized Rh 4d orbitals. The differences between the T-dependent ARPES of CeNiSn/CeRhSb Kondo semimetals and those of CeRhAs Kondo insulator are likely due to the smaller volume of CeRhAs than those of CeNiSn/CeRhSb.

Kang, J-S↗
DOE OSTI2023

Ultrafast enhancement of electron-phonon coupling via dynamic quantum well states

Abstract The density of states at the Fermi surface controls many material properties by influencing the low-energy interactions of conductive electrons. Typically, external tuning knobs generate only small perturbations to the density of states in crystals, since their band structure depends strongly on the lattice potential. In contrast, quantum well states are contingent on a localized potential extrinsic to the crystal lattice and can be easily modified leading to changes in the density of states at the Fermi level. Here, we are able to control the quantum well potential on the surface of Bi 2 Se 3 with light, driving a density of states singularity below E F at ultrafast timescales, thereby triggering a reversible Lifshitz transition. We reveal a substantial ultrafast enhancement of the electron-phonon coupling with repercussions on the relaxation dynamics in the system. We argue that the relaxation dynamics are governed largely by the interplay of the dynamic density of states of the quantum wells with c -axis scattering from the $${A}_{{{{{{{{\rm{1g}}}}}}}}}^{2}$$ A 1g 2 optical phonon mode. These results demonstrate a powerful way to enhance electron-boson interaction on ultrafast timescales providing new avenues for controlling material properties and driving novel quantum phases of matter.

Ciocys, Samuel T.↗
DOE OSTI2014

Dramatic changes in the electronic structure upon transition to the collapsed tetragonal phase in CaFe 2 As 2

We use angle-resolved photoemission spectroscopy and density functional theory calculations to study the electronic structure of CaFe 2 As 2 in the collapsed tetragonal (CT) phase. This unusual phase of iron arsenic high-temperature superconductors was hard to measure as it exists only under pressure. By inducing internal strain, via the postgrowth thermal treatment of single crystals, we were able to stabilize the CT phase at ambient pressure. We find significant differences in the Fermi surface topology and band dispersion data from the more common orthorhombic-antiferromagnetic or tetragonal-paramagnetic phases, consistent with electronic structure calculations. The top of the hole bands sinks below the Fermi level, which destroys the nesting present in parent phases. The absence of nesting in this phase, along with an apparent loss of Fe magnetic moment, are now clearly experimentally correlated with the lack of superconductivity in this phase.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Stable Weyl points, trivial surface states, and particle-hole compensation in WP 2

A possible connection between extremely large magnetoresistance and the presence of Weyl points has garnered much attention in the study of topological semimetals. Exploration of these concepts in transition-metal diphosphides WP 2 has been complicated by conflicting experimental reports. Here we combine angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations to disentangle surface and bulk contributions to the ARPES intensity, the superposition of which has plagued the determination of the band structure in WP 2 . Our results show that while the hole- and electronlike Fermi surface sheets originating from surface states have different areas, the bulk-band structure of WP 2 is electron-hole compensated in agreement with DFT. Furthermore, the ARPES band structure is compatible with the presence of at least four temperature-independent Weyl points, confirming the topological nature of WP 2 and its stability against lattice distortions.

Razzoli, E.↗
DOE OSTI2017

Skyrme insulators: insulators at the brink of superconductivity

Current theories of superfluidity are based on the idea of a coherent quantum state with topologically protected, quantized circulation. When this topological protection is absent, as in the case of 3He-A, the coherent quantum state no longer supports persistent superflow. In this paper, we argue that the loss of topological protection in a superconductor gives rise to an insulating ground state. Specifically, we introduce the concept of a Skyrme insulator to describe the coherent dielectric state that results from the topological failure of superflow carried by a complex vector order parameter. Here, we apply this idea to the case of SmB6, arguing that the observation of a diamagnetic Fermi surface within an insulating bulk can be understood as a realization of this state. Our theory enables us to understand the linear specific heat of SmB6 in terms of a neutral Majorana Fermi sea and leads us to predict that in low fields of order a Gauss, SmB6 will develop a Meissner effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Detecting fractionalization in critical spin liquids using color centers

Quantum spin liquids are highly entangled ground states of insulating spin systems, in which magnetic ordering is prevented down to the lowest temperatures due to quantum fluctuations. One of the most extraordinary characteristics of quantum spin liquid phases is their ability to support fractionalized, low-energy quasiparticles known as spinons, which carry spin-1/2 but bear no charge. Relaxometry based on color centers in crystalline materials—of which nitrogen-vacancy (NV) centers in diamond are a well-explored example—provides an exciting new platform to probe the spin spectral functions of magnetic materials with both energy and momentum resolution and to search for signatures of these elusive, fractionalized excitations. In this work, we theoretically investigate the color-center relaxometry of two archetypal quantum spin liquids: the two-dimensional U(1) quantum spin liquid with a spinon Fermi surface and the spin-1/2 antiferromagnetic spin chain. The former is characterized by a metallic, spin-split ground state of mobile, interacting spinons, which closely resembles a spin-polarized Fermi liquid ground state but with neutral quasiparticles. We show that the observation of the Stoner continuum and the collective spin wave mode in the spin spectral function would provide a strong evidence for the existence of spinons and fractionalization. In one dimension, mobile spinons form a Luttinger liquid ground state. We show that the spin spectral function exhibits strong features representing the collective density and spin-wave modes, which are broadened in an algebraic fashion with an exponent characterized by the Luttinger parameter. The possibilities of measuring these collective modes and detecting the power-law decay of the spectral weight using NV relaxometry are discussed. We also examine how the transition rates are modified by marginally irrelevant operators in the Heisenberg limit. Published by the American Physical Society 2024

Takei, So (ORCID:0000000191771895)↗
DOE OSTI2022

Surface and electronic structure at atomic length scales of the nonsymmorphic antiferromagnet Eu 5 In 2 Sb 6

We performed scanning tunneling microscopy and spectroscopy (STM/STS) measurements to investigate the Zintl phase Eu 5 ⁢In 2 ⁢Sb 6 , a nonsymmorphic antiferromagnet. The theoretical prediction of a nontrivial Fermi surface topology stabilized by the nonsymmorphic symmetry motivated our research. On the cleaved (010) plane, we obtained striped patterns that can be correlated to the stacking of the [In 2 ⁢Sb 6 ] 10- double chains along the crystallographic c axis. The attempted cleavage along the a axis revealed a more complex pattern. We combined the STS measurement on nonreconstructed (010) and (081) surfaces with DFT calculations to further elucidate the electronic structure of Eu 5 ⁢In 2 ⁢Sb 6 . From our investigations so far, direct experimental evidence of the predicted topological surface states remains elusive.

36 MATERIALS SCIENCE↗