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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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Particle-hole symmetric slave-boson method for the mixed valence problem

We introduce an analytic slave-boson method for treating the finite-𝑈 Anderson impurity model. Our approach introduces two bosons to track both 𝑄 ⇌ 𝑄 ± 1 valence fluctuations and reduces to a single symmetric 𝑠 boson in the effective action, encoding all the high-energy atomic physics information in the boson's kinematics, while the low-energy part of the action remains unchanged across finite-𝑈, infinite-𝑈, and Kondo limits. We recover the infinite-𝑈- and Kondo-limit actions from our approach and show that the Kondo resonance already develops in the normal state when the slave boson has yet to condense. We show that the slave rotor and 𝑠 boson have the same algebraic structure, and we establish a unified functional integral framework connecting the 𝑠-boson and slave-rotor representations for the single-impurity Anderson model.

Anderson impurity model↗

Charge self-consistent density functional theory plus ghost rotationally invariant slave-boson theory for correlated materials

We present a charge self-consistent density functional theory combined with the ghost rotationally invariant slave-boson (DFT+gRISB) formalism for studying correlated materials. Here, this method is applied to SrVO 3 and NiO, representing prototypical correlated metals and charge-transfer insulators. For SrVO 3 , we demonstrate that DFT+gRISB yields an accurate equilibrium volume and effective mass close to experimentally observed values. Regarding NiO, DFT+gRISB enables the simultaneous description of charge-transfer and Mott-Hubbard bands, significantly enhancing the accuracy of the original DFT+RISB approach. Furthermore, the calculated equilibrium volume and spectral function reasonably agree with experimental observations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Accuracy of ghost rotationally invariant slave-boson and dynamical mean field theory as a function of the impurity-model bath size

Here, we compare the accuracy of the ghost rotationally invariant slave-boson (g-RISB) theory and dynamical mean field theory (DMFT) on the single-band Hubbard model, as a function of the number of bath sites in the embedding impurity Hamiltonian. Our benchmark calculations confirm that the accuracy of g-RISB can be systematically improved by increasing the number of bath sites, similar to DMFT. With a few bath sites, we observe that g-RISB is systematically more accurate than DMFT for the ground-state observables. On the other hand, the relative accuracy of these methods is generally comparable for the quasiparticle weight and the spectral function. As expected, we observe that g-RISB satisfies the variational principle in infinite dimensions, as the total energy decreases monotonically towards the exact value as a function of the number of bath sites, suggesting that the g-RISB wave function may approach the exact ground state in infinite dimensions. Our results suggest that the g-RISB is a promising method for first-principles simulations of strongly correlated matter, which can capture the behavior of both static and dynamical observables, at a relatively low computational cost.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Doped moiré magnets: Renormalized flat bands and excitonic phases

Here, we explore the phase diagram of a twisted bilayer of strongly interacting electrons on a honeycomb lattice close to half filling using the slave-boson mean-field theory. Our analysis indicates that a variety of new phases can be realized as a function of chemical doping and twist angle. In particular, we find a nonmagnetic excitonic insulating phase that breaks the translational symmetry of the underlying moiré pattern. This phase results from the interplay of strong Coulomb interactions and the twist angle. In addition, we show that the features of the renormalized dispersion, such as the magic angles, depend significantly on the interactions. Our results highlight the rich physics arising in doped moiré superlattices of Mott insulators.

flat bands↗

Solvable theory of a strange metal at the breakdown of a heavy Fermi liquid

In this work, we introduce an effective theory for quantum critical points (QCPs) in heavy-fermion systems, involving a change in carrier density without symmetry breaking. Our theory captures a strongly coupled metallic QCP, leading to robust marginal Fermi-liquid transport phenomenology, and associated linear in temperature (T) "strange metal" resistivity, all within a controlled large-N limit. In the parameter regime of strong damping of emergent bosonic excitations, the QCP also displays a near-universal "Planckian" transport lifetime τ tr ~ℏ/(k B T). This is contrasted with the conventional so-called "slave boson" theory of the Kondo breakdown, where the large-N limit describes a weak coupling fixed point and nontrivial transport behavior may only be obtained through uncontrolled 1/N corrections. We also compute the weak-field Hall coefficient within the effective model as the system is tuned across the transition. We then find that, between the two plateaus reflecting the different carrier densities in the two Fermi-liquid phases, the Hall coefficient can develop a peak in the critical crossover regime, like in recent experimental findings, in the parameter regime of weak boson damping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Signatures of the attractive interaction in spin spectra of one-dimensional cuprate chains

Identifying the minimal model for cuprates is crucial for explaining the high- T c pairing mechanism. Recent photoemission experiments have suggested a significant near-neighbor attractive interaction V in cuprate chains, favoring pairing instability. To determine its strength, we systematically investigate the dynamical spin structure factors S ( q , ω ) using the density matrix renormalization group. Our analysis quantitatively reveals a notable softening in the two-spinon continuum, particularly evident in the intense spectrum at large momentum. This softening is primarily driven by the renormalization of the superexchange interaction, as determined by a comparison with the slave-boson theory. We also demonstrate the feasibility of detecting this spectral shift in thin-film samples using resonant inelastic x-ray scattering. Therefore, this provides a distinctive fingerprint for the attractive interaction, motivating future experiments to unveil essential ingredients in cuprates. Published by the American Physical Society 2024

Shen, Zecheng↗

Mott transition and correlation effects on strictly localized states in an octagonal quasicrystal

Flat-band systems have attracted significant attention as platforms for studying strongly correlated electron physics, where the dominance of electron-electron interactions over kinetic energy gives rise to a variety of emergent phenomena. Quasicrystals are compelling systems for studying these phenomena as they host degenerate strictly localized states at zero energy due to perfect destructive interference patterns. In this study, we use the slave-rotor mean-field approach to investigate the effects of electron interactions within the Hubbard model on the Ammann-Beenker quasicrystal. The phase diagram characterizing metallic and Mott insulator regions indicates a first-order phase transition. Our analysis shows that the local coordination number affects the local quasiparticle weight, displaying varying metallicity across the sites. Furthermore, we focus on the strictly localized states that arise in the noninteracting limit. We find that interactions and deviation from particle-hole symmetry induce spectral splitting, broadening, and partial delocalization of the localized states, depending on the local environment. In particular, certain localized states with higher coordination numbers remain more robust compared to others. Finally, our results highlight the critical role of local geometry in shaping correlation effects in flat-band quasicrystals.

Mott insulators↗

Unified theory of hastatic order and antiferromagnetism in URu 2 Si 2

The hidden-order phase of URu 2 Si 2 has eluded identification for over 35 years. A compelling proposal that explains the Ising heavy-fermion nature of the material is hastatic order: a symmetry-breaking heavy Fermi liquid arising from a spinorial microscopic hybridization. The original hastatic proposal cannot microscopically model the pressure-induced antiferromagnetic phase; and while it predicts a spinorial order parameter, it does not provide any detectable signatures of the spinorial nature. Here, we present a more realistic microscopic model of hastatic order in URu 2 Si 2 based on two conducting electron bands and explore its phase diagram in detail. Our model nontrivially preserves the Ising heavy-fermion physics of the original, while allowing us to tune between the antiferromagnet and hidden order using pressure analogs and magnetic field. Furthermore, our model is also consistent with recent phenomenological predictions of not one, but two, vector order parameters associated with the spinorial order that provide the first microscopic predictions for detecting the spinorial nature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗