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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Derivation of low-energy Hamiltonians for heavy-fermion materials

Here, by utilizing a multiorbital periodic Anderson model with parameters obtained from ab initio band structure calculations, combined with degenerate perturbation theory, we derive effective Kondo-Heisenberg and spin Hamiltonians that capture the interaction among the effective magnetic moments. This derivation encompasses fluctuations via both nonmagnetic 4⁢𝑓 0 and magnetic 4⁢𝑓 2 virtual states, and its accuracy is confirmed through comparison with experimental data obtained from CeIn 3 . The significant agreement observed between experimental results and theoretical predictions underscores the potential of deriving minimal models from first-principles calculations for achieving a quantitative description of 4⁢𝑓 materials. Moreover, our microscopic derivation unveils the underlying origin of anisotropy in the exchange interaction between Kramers doublets, shedding light on the conditions under which this anisotropy may be weak compared to the isotropic contribution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Flat-band driven Kondo breakdown and reentrant effects in heavy-fermion moiré superlattices

Moiré superlattices (MSLs) in van der Waals heterostructures have demonstrated their incredible power in driving emergent electronic phenomena, some of which are reminiscent of those usually only observed in bulk strongly correlated quantum materials. With the recent discovery of van der Waals 𝑓-electron materials, the design of novel MSLs of intrinsic strong correlation is now within the reach. Here we study the novel electron phases of two-dimensional heavy-fermion MSL with increasingly diluted 𝑓-electron local moments. By applying dynamical mean-field theory with numerical renormalization group as an impurity solver, we demonstrate the appearance of a different energy scale and a reentrant Kondo breakdown in connection with the emergence of a flat band in the system. We further compare our numerical findings with predictions derived from the Lieb-Mattis theorem and show the necessity of this energy scale to consistently reconcile the predictions with the conventional single-impurity limit for exceedingly large unit cells.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Renormalization group approach to spinor Bose-Fermi mixtures in a shallow optical lattice

We study a mixture of ultracold spin-half fermionic and spin-one bosonic atoms in a shallow optical lattice where the bosons are coupled to the fermions via both density-density and spin-spin interactions. We consider the parameter regime where the bosons are in a superfluid ground state, integrate them out, and obtain an effective action for the fermions. We carry out a renormalization group analysis of this effective fermionic action at low temperatures, show that the presence of the spinor bosons may lead to a separation of Fermi surfaces of the spin-up and spin-down fermions, and investigate the parameter range where this phenomenon occurs. We also calculate the susceptibilities corresponding to the possible superfluid instabilities of the fermions and obtain their possible broken-symmetry ground states at low temperatures and weak interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A ferromagnetic quantum critical point in heavy-fermion iron oxypnictide CeFe{sub 1−x}Cr{sub x}PO

We report crystallographic and magnetic properties of layered iron oxypnictide CeFe{sub 1−x}Cr{sub x}PO (x = 0.000–0.692). Interlayer distances between Ce{sub 2}O{sub 2} and (Fe{sub 1−x}Cr{sub x}){sub 2}P{sub 2} layers increase as a function of x, suggesting suppression of Kondo coupling among hybridized conducting orbitals and localized Ce 4f orbitals. CeFe{sub 1−x}Cr{sub x}PO (x = 0.100–0.384) exhibits finite ferromagnetic transition temperatures (T{sub curie}) obtained by Arrott plots, although {sup 57}Fe Mössbauer spectra reveal paramagnetic Fe sublattice at T ≥ 4.2 K. These results indicate that the ferromagnetic phase transitions of samples are mainly due to Ce sublattice. For the samples with x ≥ 0.500, no ferromagnetic order is observed down to 2 K. These results verify that ferromagnetic quantum critical points of CeFe{sub 1−x}Cr{sub x}PO appear at 0.045 ≤ x ≤ 0.100 and 0.384 ≤ x ≤ 0.500.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Creating Spin-One Fermions in the Presence of Artificial Spin–Orbit Fields: Emergent Spinor Physics and Spectroscopic Properties

We propose the creation and investigation of a system of spin-one fermions in the presence of artificial spin–orbit coupling, via the interaction of three hyperfine states of fermionic atoms to Raman laser fields. We explore the emergence of spinor physics in the Hamiltonian described by the interaction between light and atoms, and analyze spectroscopic properties such as dispersion relation, Fermi surfaces, spectral functions, spin-dependent momentum distributions and density of states. Connections to spin-one bosons and SU(3) systems is made, as well relations to the Lifshitz transition and Pomeranchuk instability are presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Differential conductance and defect states in the heavy-fermion superconductor CeCoIn 5

We demonstrate that the electronic band structure extracted from quasiparticle interference spectroscopy [Nat. Phys. 9, 468 (2013)] and the theoretically computed form of the superconducting gaps [Proc. Natl. Acad. Sci. USA 111, 11663 (2014)] can be used to understand the dI/dV line shape measured in the normal and superconducting state of CeCoIn 5 [Nat. Phys. 9, 474 (2013)]. In particular, the dI/dV line shape, and the spatial structure of defect-induced impurity states, reflects the existence of multiple superconducting gaps of d x 2 –y 2 symmetry. As a result, these results strongly support a recently proposed microscopic origin of the unconventional superconducting state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Observation of the anisotropic Dirac cone in the band dispersion of 112-structured iron-based superconductor Ca{sub 0.9}La{sub 0.1}FeAs{sub 2}

CaFeAs{sub 2} is a parent compound of recently discovered 112-type iron-based superconductors. It is predicted to be a staggered intercalation compound that naturally integrates both quantum spin Hall insulating and superconducting layers and an ideal system for the realization of Majorana modes. We performed a systematical angle-resolved photoemission spectroscopy and first-principles calculation study of the slightly electron-doped CaFeAs{sub 2}. We found that the zigzag As chain of 112-type iron-based superconductors play a considerable role in the low-energy electronic structure, resulting in the characteristic Dirac-cone like band dispersion as the prediction. Our experimental results further confirm that these Dirac cones only exist around the X but not Y points in the Brillouin zone, breaking the S{sub 4} symmetry at iron sites. Our findings present the compelling support to the theoretical prediction that the 112-type iron-based superconductors might host the topological nontrivial edge states. The slightly electron doped CaFeAs{sub 2} would provide us a unique opportunity to realize and explore Majorana fermion physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Delocalization and occupancy effects of 5f orbitals in plutonium intermetallics using L3-edge resonant X-ray emission spectroscopy

Although actinide (An) L3 -edge X-ray absorption near-edge structure (XANES) spectroscopy has been very effective in determining An oxidation states in insulating, ionically bonded materials, such as in certain coordination compounds and mineral systems, the technique fails in systems featuring more delocalized 5f orbitals, especially in metals. Recently, actinide L3-edge resonant X-ray emission spec- troscopy (RXES) has been shown to be an effective alternative. This technique is further demonstrated here using a parameterized partial unoccupied density of states method to quantify both occupancy and delocalization of the 5f orbital in ?-Pu, ?-Pu, PuCoGa5 , PuCoIn5 , and PuSb2. These new results, supported by FEFF calculations, highlight the effects of strong correlations on RXES spectra and the technique?s ability to differentiate between f-orbital occupation and delocalization.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Topological d -wave superconductivity in two dimensions

Despite intensive searches for topological superconductors, the realization of topological superconductivity remains under debate. Previous proposals for the topological s-wave, p-wave, and chiral d-wave superconductivity have both advantages and disadvantages. In this review, we discuss two-dimensional topological superconductivity based on the non-chiral d-wave superconductors. It is shown that the noncentrosymmetric d-wave superconductors become topological superconductors under an infinitesimal Zeeman field without fine-tuning of parameters. Additionally, Floquet engineering for introducing the Zeeman field in a controllable way is also proposed. When the two-dimensional noncentrosymmetric superconductors are stacked to recover the global inversion symmetry, the field-induced parity transition may occur, and the high-field odd-parity superconducting state realizes various topological phases depending on the stacking structures. Two-dimensional heterostructures of strongly correlated electron systems, which have been developed by recent experiments, are proposed as a platform of the high-temperature topological superconductivity and the interplay of topology and strong correlations in superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Ubiquity of amplitude-modulated magnetic ordering in the H - T phase diagram of the frustrated non-Fermi-liquid YbAgGe

YbAgGe contains a magnetic geometrically frustrated kagome-like lattice that also features significant local single-ion anisotropy. The electronic state is established by hybridization of 4f and conduction electrons leading to heavy electronic masses. The competition between these various interactions leads to nontrivial behavior under external magnetic field, including a sequence of magnetic phase transitions, non-Fermi-liquid states, and possibly a quantum critical point. We present a series of neutron diffraction experiments performed in the mK temperature range and under magnetic fields up to 8 T in the hexagonal plane, revealing the microscopic nature of the first four subsequent magnetic states of this phase diagram. The magnetic phases are associated with the propagation vectors K 1 =($\frac{1}{3}$ 0 $\frac{1}{3}$) for H < 2 T, K 2 = (0 0 0.32) for 2 T < H < 3 T, K 1 = ($\frac{1}{3}$ 0 $\frac{1}{3}$) for 3 T < H < 4.5 T and k 3 = (0.195 0.195 0.38) for 4.5 T < H < 7 T. Our structural refinements reveal a strong modulation of the magnetic moment amplitude in all phases. We observe that the ordered moments of the three magnetically different Yb sites become increasingly different in field, which complies with the principle local anisotropy directions relative to the field direction. While the ordered moments are aligned predominantly in the hexagonal plane, we also find a significant out-of-plane component and a ferromagnetic contribution above 2 T. Here we discuss possible scenarios that may evolve around the phase boundary at 4.5 T, which is associated with putative quantum criticality as identified by various bulk probes. We propose further steps that are required to better understand the microscopic interactions in this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Crystallization of an exciton superfluid

Indirect excitons--pairs of electrons and holes spatially separated in semiconductor bilayers or quantum wells--are known to undergo Bose-Einstein condensation and to form a quantum fluid. Here we show that this superfluid may crystallize upon compression. However, further compression results in quantum melting back to a superfluid. This unusual behavior is explained by the effective interaction potential between indirect excitons, which strongly deviates from a dipole potential at small distances due to many-particle and quantum effects. Based on first-principles path-integral Monte Carlo simulations, we compute the complete phase diagram of this system and predict the relevant parameters necessary to experimentally observe exciton crystallization in semiconductor quantum wells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Probing strong correlations with light scattering: Example of the quantum Ising model

In this article we calculate the nonlinear susceptibility and the resonant Raman cross section for the paramagnetic phase of the ferromagnetic quantum Ising model in one dimension. In this region the spectrum of the Ising model has a gap m. The Raman cross section has a strong singularity when the energy of the outgoing photon is at the spectral gap ω f ≈ m and a square root threshold when the frequency difference between the incident and outgoing photons ω i ₋ω f ≈2m. Finally, the latter feature reflects the fermionic nature of the Ising model excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Emergent reflection symmetry from nonrelativistic composite fermions

A recent experimental study [Pan et al. , arXiv:1902.10262] has demonstrated that fractional quantum Hall effect gaps are essentially consistent with particle-hole symmetry in the lowest Landau level. Motivated by this result, we consider a clean two-dimensional electron system from the viewpoint of composite fermion mean-field theory. Here, we show that while the experiment is manifestly consistent with a Dirac composite fermion theory proposed recently by Son, it can equally well be explained within the framework of nonrelativistic composite fermions, first put forward by Halperin, Lee, and Read.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗