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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Breakdown of order fractionalization in the CPT model

Here, we present an analysis of the half-filled CPT model, an analytically tractable Kondo lattice model with Yao-Lee spin-spin interactions on a 3D hyperoctagon lattice, proposed by Coleman, Panigrahi, and Tsvelik. Previous studies have established that the CPT model exhibits odd-frequency triplet superconductivity and order fractionalization. Through asymptotic analyses in the small- and large- Kondo coupling limits, we identify a quantum critical point at , marking a transition from a superconductor to a Kondo insulator. By estimating the vison gap energy to account for thermal gauge fluctuations, we determine the energy scales governing the thermal breakdown of order fractionalization. Moreover, at large the Kondo insulator undergoes orbital decoupling, leading to the formation of a decoupled Kitaev orbital liquid. These findings and analogies with the -gauged model lead us to propose a tentative phase diagram for the CPT model at half-filling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Global Phase Diagram of a Spin-Orbital Kondo Impurity Model and the Suppression of Fermi-Liquid Scale

Many correlated metallic materials are described by Landau Fermi-liquid theory at low energies, but for Hund metals the Fermi-liquid coherence scale $T_{FL}$ is found to be surprisingly small. In this Letter, we study the simplest impurity model relevant for Hund metals, the three-channel spin-orbital Kondo model, using the numerical renormalization group (NRG) method and compute its global phase diagram. In this framework, $T_{FL}$ becomes arbitrarily small close to two new quantum critical points that we identify by tuning the spin or spin-orbital Kondo couplings into the ferromagnetic regimes. We find quantum phase transitions to a singular Fermi-liquid or a novel non-Fermi-liquid phase. The new non-Fermi-liquid phase shows frustrated behavior involving alternating overscreenings in spin and orbital sectors, with universal power laws in the spin (ω -1/5 ), orbital (ω 1/ 5 ) and spin-orbital (ω 1 ) dynamical susceptibilities. These power laws, and the NRG eigenlevel spectra, can be fully understood using conformal field theory arguments, which also clarify the nature of the non-Fermi-liquid phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

From Trivial Kondo Insulator Ce 3 Pt 3 Bi 4 to Topological Nodal-Line Semimetal Ce 3 Pd 3 Bi 4

In this work, using the density functional theory combined with dynamical mean-field theory, we have performed systematic study of the electronic structure and its band topology properties of Ce 3 Pt 3 Bi 4 and Ce 3 Pd 3 Bi 4 . At high temperatures ( ~ 290 K ), the electronic structures of both compounds resemble the open-core 4 f density functional calculation results. For Ce 3 Pt 3 Bi 4 , clear hybridization gap can be observed below 72 K, and its coherent momentum-resolved spectral function below 18 K exhibits an topologically trivial indirect gap of ~ 6 meV and resembles density functional band structure with itinerant 4 f state. For Ce 3 Pd 3 Bi 4 , no clear hybridization gap can be observed down to 4 K, and its momentum-resolved spectral function resembles electron-doped open-core 4 f density functional calculations. The band nodal points of Ce 3 Pd 3 Bi 4 at 4 K are protected by the gliding-mirror symmetry and form ringlike structure. Therefore, the Ce 3 Pt 3 Bi 4 compound is topologically trivial Kondo insulator while the Ce 3 Pd 3 Bi 4 compound is topological nodal-line semimetal.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Anisotropic c – f Hybridization in the Ferromagnetic Quantum Critical Metal CeRh 6 Ge 4

Heavy fermion compounds exhibiting a ferromagnetic quantum critical point have attracted considerable interest. Common to two known cases, i.e., CeRh 6 Ge 4 and YbNi 4 P 2 , is that the 4f moments reside along chains with a large interchain distance, exhibiting strong magnetic anisotropy that was proposed to be vital for the ferromagnetic quantum criticality. Here, we report an angle-resolved photoemission study on CeRh 6 Ge 4 in which we observe sharp momentum-dependent 4f bands and clear bending of the conduction bands near the Fermi level, indicating considerable hybridization between conduction and 4f electrons. The extracted hybridization strength is anisotropic in momentum space and is obviously stronger along the Ce chain direction.The hybridized 4f bands persist up to high temperatures, and the evolution of their intensity shows clear band dependence. Our results provide spectroscopic evidence for anisotropic hybridization between conduction and 4f electrons in CeRh 6 Ge 4 , which could be important for understanding the electronic origin of the ferromagnetic quantum criticality.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Entropy Measurement of a Strongly Coupled Quantum Dot

The spin 1/2 entropy of electrons trapped in a quantum dot has previously been measured with great accuracy, but the protocol used for that measurement is valid only within a restrictive set of conditions. Here, in this work, we demonstrate a novel entropy measurement protocol that is universal for arbitrary mesoscopic circuits and apply this new approach to measure the entropy of a quantum dot hybridized with a reservoir. The experimental results match closely to numerical renormalization group (NRG) calculations for small and intermediate coupling. For the largest couplings investigated in this Letter, NRG calculations predict a suppression of spin entropy at the charge transition due to the formation of a Kondo singlet, but that suppression is not observed in the experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Quantum Monte Carlo Method in the Steady State

We present a numerically exact steady-state inchworm Monte Carlo method for nonequilibrium quantum impurity models. Rather than propagating an initial state to long times, the method is directly formulated in the steady state. This eliminates any need to traverse the transient dynamics and grants access to a much larger range of parameter regimes at vastly reduced computational costs. We benchmark the method on equilibrium Green’s functions of quantum dots in the noninteracting limit and in the unitary limit of the Kondo regime. We then consider correlated materials described with dynamical mean field theory and driven away from equilibrium by a bias voltage. We show that the response of a correlated material to a bias voltage differs qualitatively from the splitting of the Kondo resonance observed in bias-driven quantum dots.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Coupled topological flat and wide bands: Quasiparticle formation and destruction

Flat bands amplify correlation effects and are of extensive current interest. They provide a platform to explore both topology in correlated settings and correlation physics enriched by topology. Recent experiments in correlated kagome metals have found evidence for strange-metal behavior. A major theoretical challenge is to study the effect of local Coulomb repulsion when the band topology obstructs a real-space description. In a variant to the kagome lattice, we identify an orbital-selective Mott transition in any system of coupled topological flat and wide bands. This was made possible by the construction of exponentially localized and Kramers-doublet Wannier functions, which, in turn, leads to an effective Kondo-lattice description. Our findings show how quasiparticles are formed in such coupled topological flat-wide band systems and, equally important, how they are destroyed. Our work provides a conceptual framework for the understanding of the existing and emerging strange-metal properties in kagome metals and beyond.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Realizing a topological diode effect on the surface of a topological Kondo insulator

Introducing the concept of topology into material science has sparked a revolution from classic electronic and optoelectronic devices to topological quantum devices. The latter has potential for transferring energy and information with unprecedented efficiency. Here, we demonstrate a topological diode effect on the surface of a three-dimensional material, SmB 6 , a candidate topological Kondo insulator. The diode effect is evidenced by pronounced rectification and photogalvanic effects under electromagnetic modulation and radiation at radio frequency. Our experimental results and modeling suggest that these prominent effects are intimately tied to the spatially inhomogeneous formation of topological surface states (TSS) at the intermediate temperature. This work provides a manner of breaking the mirror symmetry (in addition to the inversion symmetry), resulting in the formation of pn-junctions between puddles of metallic TSS. Further, this effect paves the way for efficient current rectifiers or energy-harvesting devices working down to radio frequency range at low temperature, which could be extended to high temperatures using other topological insulators with large bulk gap.

36 MATERIALS SCIENCE↗
DOE OSTI2021

From weak antilocalization to Kondo scattering in a magnetic complex oxide interface

Quantum corrections to electrical resistance can serve as sensitive probes of the magnetic landscape of a material. For example, interference between time-reversed electron paths gives rise to weak localization effects, which can provide information about the coupling between spins and orbital motion, while the Kondo effect is sensitive to the presence of spin impurities. In this work, we use low-temperature magnetotransport measurements to reveal a gradual transition from weak antilocalization (WAL) to Kondo scattering in the quasi-two-dimensional electron gas formed at the interface between SrTiO 3 and the Mott insulator NdTiO 3 . This transition occurs as the thickness of the NdTiO 3 layer is increased. Analysis of the Kondo scattering and WAL points to the presence of atomic-scale magnetic impurities coexisting with nanoscale magnetic regions that affect transport via a strong magnetic exchange interaction. This leads to distinct magnetoresistance behaviors that can serve as a sensitive probe of magnetic properties in two dimensions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ground state of Ce 3 Bi 4 Pd 3 unraveled by hydrostatic pressure

Noncentrosymmetric Ce 3 Bi 4 Pd 3 has attracted a lot of attention as a candidate for strongly correlated topological material, yet its experimental ground state remains a matter of contention. Two conflicting scenarios have emerged from a comparison to the prototypical Kondo insulator Ce 3 Bi 4 Pd 3 : Either Ce 3 Bi 4 Pd 3 is a spin-orbit-driven topological semimetal or a Kondo insulator with smaller Kondo coupling than its Pt counterpart. Here, we determine the ground state of Ce 3 Bi 4 Pd 3 via electrical resistivity measurements under hydrostatic pressure, which is a clean symmetry-preserving tuning parameter that increases hybridization but virtually preserves spin-orbit coupling. Ce 3 Bi 4 Pd 3 becomes more insulating under pressures up to 2.3 GPa, which is a signature of Ce-based Kondo insulating materials in the considered pressure range. Its small zero-pressure gap increases quadratically with pressure, similar to the behavior observed in the series Ce 3 Bi 4 (Pt 1 - x Pd x ) 3 , which indicates that Pt substitution and applied pressure have a similar effect. Finally, our result not only demonstrates that Kondo coupling, rather than spin-orbit coupling, is the main tuning parameter in this class of materials, but it also establishes that Ce 3 Bi 4 Pd 3 has a narrow-gap Kondo insulating ground state.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Unconventional magnetic order emerging from competing energy scales in the new R Rh 3 Si 7 intermetallics ( R = Gd-Yb)

The competition between Ruderman-Kittel-Kasuya-Yosida (RKKY), crystal electric field (CEF), and Kondo energy scales has recently emerged at the heart of complex magnetism in several Ce- or Yb-based intermetallics. Hard axis magnetic order has been observed in a handful of these compounds, independent of the crystal symmetry, size of the ordered moment, or the relative scale of the Kondo and magnetic ordering temperatures. This raises the question of the role of each energy scale in driving the ground state properties. In focusing on a single class of compounds, the rhombohedral RRh 3 Si 7 , we compare the anisotropy and magnetic ground states in members of this series with only RKKY interactions (R = Gd), or RKKY and CEF effects (R = Tb-Tm), with the behavior of the R = Yb compound, where all three energy scales (RKKY, CEF, Kondo) are at play. Moreover, we extend the comparison to two other isostructural Kondo systems YbIr 3 Si 7 and YbIr 3 Ge 7 , where hard axis magnetic order is also observed. The non-Kondo compounds RRh 3 Si 7 (R = Tb-Tm) lack the complexity of magnetic order along the hard CEF axis, pointing to the dominant role of the Kondo effect in driving this magnetic order. Furthermore, the CEF-RKKY competition is still responsible for complex magnetic ground states, and it appears that the electronic and magnetic degrees of freedom are entangled in all magnetic members of this series of compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Magnetic order and excitations in Ce 3 TiBi 5 and Ce 3 ZrBi 5

The R 3 MBi 5 rare-earth intermetallics (R = rare earth, M = Ti, Zr, Sc) provide a versatile platform to explore how Kondo hybridization, Ruderman–Kittel–Kasuya–Yosida (RKKY) exchange, magnetic frustration, and broken inversion symmetry may cooperate to generate unusual magnetic behavior. We present a comprehensive neutron scattering investigation of the magnetic structure, crystal electric field (CEF), and low-energy excitations in the locally noncentrosymmetric Kondo-lattice compounds Ce 3 TiBi 5 and Ce 3 ZrBi 5 . Powder and single-crystal neutron diffraction reveals incommensurate cycloidal antiferromagnetic order in Ce 3 TiBi 5 with propagation vector k = (0, 0, 0.388) and a reduced ordered moment of m = 0.53(3)μ B . Ce 3 ZrBi 5 exhibits a qualitatively similar magnetic diffraction profile, with k ≃ (0, 0, 0.37). Inelastic neutron scattering measurements resolve two clear, well-separated CEF excitations in both compounds with nearly the same profile, confirming a well-isolated Kramers doublet ground state. At low energies, a broad, quasi-elastic magnetic response is observed at T ≃ T N , whose momentum-dependence is inconsistent with that expected from conventional collective excitations of localized moments. This discrepancy, along with a Kondo temperature estimate T K ~ 6 - 7 K—comparable to T N —indicates sizable Kondo hybridization, which accounts for the moment reduction and the spiral magnetic order that appears to involve the magnetic hard direction. Our results place these compounds in a regime where local inversion symmetry breaking, anisotropic CEF effects, and competing Kondo and RKKY interactions collectively give rise to unconventional magnetic order.

Kondo interaction↗
DOE OSTI2020

Magnetic-field-induced nontrivial electronic state in the Kondo-lattice semimetal CeSb

Synergic effect of electronic correlation and spin-orbit coupling is an emerging topic in topological materials. Central to this rapidly developing area are the prototypes of strongly correlated heavy-fermion systems. Recently, some Ce-based compounds are proposed to host intriguing topological nature, among which the electronic properties of CeSb are still under debate. Herein, we report a comprehensive study combining magnetic and electronic transport measurements, and electronic band-structure calculations of this compound to identify its topological nature. Quantum oscillations are clearly observed in both magnetization and magnetoresistance at high fields, from which one pocket with a nontrivial Berry phase is recognized. Angular-dependent magnetoresistance shows that this pocket is elongated in nature and corresponds to the electron pocket as observed in LaBi. Nontrivial electronic structure of CeSb is further confirmed by first-principle calculations, which arises from spin splitting in the fully polarized ferromagnetic state. These features indicate that magnetic field can induce nontrivial topological electronic states in this prototypical Kondo semimetal.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Boundary scattering in topological Kondo insulator SmB 6

We have studied the effects of phonon-boundary scattering on the thermal transport of topological Kondo insulator SmB6. The studies have been performed using the 3ω method across a temperature range 3–300 K. Our results indicate that the thermal conductivity of micro-sized SmB 6 is of an order of magnitude smaller than that of a bulk single crystal. Using the Callaway model, we analyzed the low-temperature lattice thermal conductivity of the microcrystal and demonstrated that phonon scattering at the sample boundaries is a major contributor to the thermal resistance in this topological material. Furthermore, our study reveals that the temperature dependence of the lattice thermal conductivity exhibits a double-peak structure, suggesting strong phonon–phonon or phonon–defect interactions in this material, characteristic of resonant scattering. Furthermore, these findings will help in a better understanding of thermal transport in advanced materials and devices at the micro scale.

Physics - Condensed matter physics↗
DOE OSTI2021

Structural, magneto transport and magnetic properties of Ruddlesden–Popper La 2-2x Sr 1+2x Mn 2 O 7 (0.42≤x≤0.52) layered manganites

The magneto transport of Ruddlesden–Popper, La 2-2x Sr 1+2x Mn 2 O 7 (0.42≤x≤0.52), 2-dimensional bilayered manganites have been investigated in a broad temperature range. The samples have been synthesized using the solid-state reaction method. Rietveld refinement of the X-ray diffraction data indicates the tetragonal structure formation with I4/mmm space group. The resistivity curves of the samples present a general characteristic of metal-insulator (MI) transition at certain temperature (T MI ). Besides, for samples with x = 0.48, 0.50, and 0.52, at a certain temperature (T CO ) well below T MI the charge ordering is also evident. Furthermore, the samples display a shallow upturn in resistivity below T min due to the Kondo like spin scattering effect, weak localization and electron-phonon interaction. The high temperature semiconducting (T>T MI ) region, the resistivity curve follows the 3D Mott’s variable hopping transport mechanism. The overall suppression of resistivity accounts for a substantial magnetoresistance by applying a magnetic field and the characteristic change in T MI , T CO , and T min are discussed. Temperature-dependent magnetization demonstrates the suppression of ferromagnetism and evident of antiferromagnetic nature with an apparent charge ordering with increasing concentration of Sr 2+ .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Stabilization of a Majorana zero mode through quantum frustration

We analyze a system in which a topological Majorana zero mode (tMZM) combines with a Majorana produced by quantum frustration (fMZM) to produce a novel ground state. The system that we study combines two parts, a grounded topological superconducting wire that hosts two tMZMs at its ends and an on-resonant quantum dot connected to two dissipative leads. The quantum dot with dissipative leads creates an effective two-channel Kondo (2CK) state in which quantum frustration yields an isolated fMZM at the dot. We find that coupling the dot to one end of the topological wire stabilizes the tMZM at the other end. Three routes are used to obtain these results: (i) calculation of the conductance through an auxiliary detector quantum dot, (ii) renormalization group (RG) arguments and the g theorem, and (iii) a fully nonequilibrium calculation of the I(V) curve and shot noise S(V) through the detector dot. In addition to providing a route to achieving an unpaired Majorana zero mode, this scheme provides a clear signature of the presence of the 2CK frustration-induced Majorana.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Anisotropic hybridization in CeRhSn

The optical conductivity σ⁡(ω, T) of CeRhSn was studied by broadband infrared spectroscopy. Temperature-dependent spectral weight transfer occurs over high energy (0.8 eV) and temperature (~500 K) scales, classifying CeRhSn as a mixed-valent compound. The optical conductivity reveals a substantial anisotropy in the electronic structure. Renormalization of σ⁡(ω, T) occurs as a function of temperature to a coherent Kondo state with concomitant effective mass generation. Associated spectroscopic signatures were reproduced remarkably well by the combination of density functional theory and dynamical mean-field theory using a momentum-independent self-energy. The theory shows that the anisotropy for energies > 10 meV is mainly driven by the bare three-dimensional electronic structure that is renormalized by local electronic correlations. The possible influence of magnetic frustration and quantum criticality is restricted to lower energies.

36 MATERIALS SCIENCE↗