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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 109 records · Page 6

Location and thermal evolution of the pseudogap due to spin fluctuations

We study pseudogap behavior in a metal near a spin density wave (SDW) instability due to thermal magnetic fluctuations. We consider the t–t' Hubbard model on a square lattice at a finite doping, at intermediate coupling strength, and analyze the thermal evolution of the electron spectral function between a SDW ordered state at low temperatures and a normal Fermi liquid at high temperatures. We argue that for proper description of the pseudogap one needs to sum up infinite series of diagrams for both the fermionic self-energy and the SDW order parameter in the SDW state or the magnetic correlation length in the paramagnetic state. We use the eikonal approach to sum up an infinite series of diagrammatic contributions from thermal fluctuations. Earlier studies found that in the SDW state the spectral function A k (ω) of a hot fermion at a finite T is exponentially small below the energy scale Δ(T), which scales with SDW order and vanishes at the ordering temperature T N , and has a hump at a larger frequency Δ PG , comparable to the zero-temperature SDW gap Δ(T = 0). We argue that the hump, which we associate with the pseudogap, survives in some T range above T N . We show that this range is split by regions of strong and weak pseudogap behavior. In the first region, Δ PG is weakly temperature dependent, despite the fact that it comes from thermal fluctuations. Such a behavior has been seen in numerical studies of the Hubbard model. We show that to obtain it one needs to go beyond the one-loop approximation and sum up the infinite series of diagrams. In the second regime, Δ PG decreases with increasing T and eventually vanishes. Here, we further argue that a magnetic pseudogap at a finite T emerges only if the ground state is magnetically ordered. We present the phase diagram and apply the results to high-T c cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Supercondutivity at 9K in Mo 5 PB 2 with evidence for multiple gaps

Superconductivity is observed with critical temperatures near 9 K in the tetragonal compound Mo 5 PB 2 . This material adopts the Cr 5 B 3 structure type common to superconducting Nb 5 Si 3–x Bx, Mo 5 SiB 2 , and W 5 SiB 2 , which have critical temperatures of 5.8–7.8 K. We have synthesized polycrystalline samples of the compound, made measurements of electrical resistivity, magnetic susceptibility, and heat capacity, and performed first-principles electronic structure calculations. The highest T c value (9.2 K) occurs in slightly phosphorus rich samples, with composition near Mo 5 P 1.1 B 1.9 , and the upper critical field H c2 at T = 0 is estimated to be ≈17 kOe. Together, the measurements and band-structure calculations indicate intermediate coupling (λ=1.0), phonon mediated superconductivity. Here, the temperature dependence of the heat capacity and upper critical field H c2 below T c suggest multiple superconducting gaps may be present.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Impurity-induced antiferromagnetic domains in the periodic Anderson model

A central feature of the periodic Anderson model is the competition between antiferromagnetism, mediated by the Ruderman-Kittel-Kasuya-Yosida interaction at small conduction electron-local electron hybridization V, and singlet formation at large V. At zero temperature, and in dimension d>1, these two phases are separated by a quantum critical point V c . We also use quantum Monte Carlo (QMC) simulations to explore the effect of impurities which have a local hybridization V* c in the antiferromagnetic regime which are embedded in a bulk singlet phase with V>V c . We then measure the suppression of singlet correlations and the antiferromagnetic correlations which form around the impurity, as well as the size of the resulting domain. Exact diagonalization calculations for linear chains allow us to verify that the qualitative features obtained at intermediate coupling and finite T persist to strong coupling and T=0, regimes which are difficult to access with QMC. Our calculations show an agreement qualitatively with NMR measurements in CeCoIn 5-x Cd x .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Superconductivity and nematic fluctuations in a model of doped FeSe monolayers: Determinant quantum Monte Carlo study

In contrast to bulk FeSe, which exhibits nematic order and low temperature superconductivity, highly doped FeSe reverses the situation, having high temperature superconductivity appearing alongside a suppression of nematic order. To investigate this phenomenon, we study a minimal electronic model of FeSe, with interactions that enhance nematic fluctuations. This model is sign problem free, and is simulated using determinant quantum Monte Carlo (DQMC). We developed a DQMC algorithm with parallel tempering, which proves to be an efficient source of global updates and allows us to access the region of strong interactions. Over a wide range of intermediate couplings, we observe superconductivity with an extended s-wave order parameter, along with enhanced, but short-ranged, q=(0,0) ferro-orbital (nematic) order. These results are consistent with approximate weak-coupling treatments that predict that nematic fluctuations lead to superconducting pairing. Surprisingly, in the parameter range under study, we do not observe nematic long-range order. Furthermore, at stronger coupling an unusual insulating phase with q=(π,π) antiferro -orbital order appears, which is missed by weak-coupling approximations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Biexciton Condensation in Electron-Hole-Doped Hubbard Bilayers: A Sign-Problem-Free Quantum Monte Carlo Study

The bilayer Hubbard model with electron-hole doping is an ideal platform to study excitonic orders due to suppressed recombination via spatial separation of electrons and holes. However, suffering from the sign problem, previous quantum Monte Carlo studies could not arrive at an unequivocal conclusion regarding the presence of phases with clear signatures of excitonic condensation in bilayer Hubbard models. Here, we develop a determinant quantum Monte Carlo algorithm for the bilayer Hubbard model that is sign-problem-free for equal and opposite doping in the two layers and study excitonic order and charge and spin density modulations as a function of chemical potential difference between the two layers, on-site Coulomb repulsion, and interlayer interaction. In the intermediate coupling regime and in proximity to the SU(4)-symmetric point, we find a biexcitonic condensate phase at finite electron-hole doping, as well as a competing (π, π) charge density wave state. In this study, we extract the Berezinskii-Kosterlitz-Thouless transition temperature from superfluid density and a finite-size scaling analysis of the correlation functions and explain our results in terms of an effective biexcitonic hard-core boson model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Strain-Modulated Slater-Mott Crossover of Pseudospin-Half Square-Lattice in ( SrIrO 3 ) 1 / ( SrTiO 3 ) 1 Superlattices

Here, we report on the epitaxial strain-driven electronic and antiferromagnetic modulations of a pseudospin-half square lattice realized in superlattices of (SrIrO 3 ) 1 /(SrTiO 3 )1. With increasing compressive strain, we find the low-temperature insulating behavior to be strongly suppressed with a corresponding systematic reduction of both the Néel temperature and the staggered moment. However, despite such a suppression, the system remains weakly insulating above the Néel transition. The emergence of metallicity is observed under large compressive strain but only at temperature far above the Néel transition. These behaviors are characteristics of the Slater-Mott crossover regime, providing a unique experimental model system of the spin-half Hubbard Hamiltonian with a tunable intermediate coupling strength.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

FEFF analysis of americium oxides

The Am N 4,5 (4d 3/2 and 4d 5/2 ) and Am O 4,5 (5d 3/2 and 5d 5/2 ) x-ray absorption spectroscopy (XAS) of americium sesquioxide (Am 2 O 3 ) and americium dioxide (AmO 2 ) has been evaluated with FEFF, a Green's function–based, multiple scattering code. Taking guidance from the intermediate coupling model (ICM), applicable to local and nonmagnetized samples, it is possible to completely reconstruct the experimental results for the N 4,5 spectra, including the observed differences between the Am 2 O 3 and the AmO 2 cases. Although complicated by a more asymmetric line shape and difficult background variations, the FEFF analysis confirms the absence of core hole angular momentum coupling in Am O 4,5 spectroscopy.

36 MATERIALS SCIENCE↗

Modeling the Mechanisms of Linear and Nonlinear ENSO Responses to the Pacific Meridional Mode

Interactions between the Pacific meridional mode (PMM) and El Niño–Southern Oscillation (ENSO) are investigated using the National Center for Atmospheric Research (NCAR) Community Earth System Model (CESM) and an intermediate coupled model (ICM). The two models are configured so that the CESM simulates the PMM but not ENSO, and the ICM simulates ENSO but not the PMM, allowing for a clean separation between the PMM evolution and the subsequent ENSO response. An ensemble of CESM simulations is run with an imposed surface heat flux associated with the North Pacific Oscillation (NPO) generating a sea surface temperature (SST) and wind response representative of the PMM. The PMM wind is then applied as a forcing to the ICM to simulate the ENSO response. The positive (negative) ensemble-mean PMM wind forcing results in a warm (cold) ENSO event although the responses are not symmetric (warm ENSO events are larger in amplitude than cold ENSO events), and large variability between ensemble members suggests that any individual ENSO event is strongly influenced by natural variability contained within the CESM simulations. Sensitivity experiments show that 1) direct forcing of Kelvin waves by PMM winds dominates the ENSO response, 2) seasonality of PMM forcing and ENSO growth rates influences the resulting ENSO amplitude, 3) ocean dynamics within the ICM dominate the ENSO asymmetry, and 4) the nonlinear relationship between PMM wind anomalies and surface wind stress may enhance the La Niña response to negative PMM variations. Implications for ENSO variability are discussed.

54 ENVIRONMENTAL SCIENCES↗

Final Report for UW-Madison Portion of DE-SC0005301, "Collaborative Project: Pacific Decadal Variability and Central Pacific Warming El Niño in a Changing Climate"

This project funded two efforts at understanding the interactions between Central Pacific ENSO events, the mid-latitude atmosphere, and decadal variability in the Pacific. The first was an investigation of conditions that lead to Central Pacific (CP) and East Pacific (EP) ENSO events through the use of linear inverse modeling with defined norms. The second effort was a modeling study that combined output from the National Center for Atmospheric Research (NCAR) Community Atmospheric Model (CAM4) with the Battisti (1988) intermediate coupled model. The intent of the second activity was to investigate the relationship between the atmospheric North Pacific Oscillation (NPO), the Pacific Meridional Mode (PMM), and ENSO. These two activities are described herein.

54 ENVIRONMENTAL SCIENCES↗

ENSO Diversity Simulated in a Revised Cane-Zebiak Model

The El Niño-Southern Oscillation (ENSO) phenomenon features rich sea surface temperature (SST) spatial pattern variations dominated by the Central Pacific (CP) and Eastern Pacific (EP) patterns during its warm phase. Understanding such ENSO pattern diversity has been a subject under extensive research activity. To provide a framework for unveiling the fundamental dynamics of ENSO diversity, an intermediate coupled model based on the Cane-Zebiak-type framework, named RCZ, is established in this study. Compared with the original Cane-Zebiak model, RCZ consists of revised model formulation and well-tuned parameterization schemes. All model components are carefully validated against the observations via the standalone mode, in which the observed anomalous SST (wind stress) forcing is prescribed to drive the atmospheric (oceanic) component. The superiority of RCZ’s model components over those in the original Cane-Zebiak model is evidenced by their better performance in simulating the observations. Coupled simulation with RCZ satisfactorily reproduces aspects of the observed ENSO characteristics, including the spatial pattern, phase-locking, amplitude asymmetry, and, particularly, ENSO diversity/bi-modality. RCZ serves as a promising tool for studying dynamics of ENSO diversity as it resolves most of the relevant processes proposed in the literature, including atmospheric nonlinear convective heating, oceanic nonlinear dynamical heating, and the ENSO/westerly wind burst interaction.

54 ENVIRONMENTAL SCIENCES↗

Proton collisional excitation in the ground configuration of Fe/+12/. II

Improved values of the proton impact excitation cross sections at coronal energies for all the Fe(+12) ground configuration transitions are presented. These were obtained by direct computer integration of the Schroedinger equation (with the states expressed in intermediate coupling) resulting from the semiclassical Coulomb excitation theory formulation of the process. Comparison is made with previous results. The associated rate constants at coronal temperatures are given and compared with the corresponding electron impact excitation rate constants.

Landman, D. A.↗

Angular distributions in the electron impact excitation of Xe at 20 eV

Electron impact energy-loss spectra of Xe have been studied at 20 eV incident electron energy at scattering angles from 5 to 135 deg. Differential and integral cross sections for elastic scattering and for the excitation of electronic states up to 10.60 eV energy loss have been determined. The validity of the optical selection rules and the previously established angular behavior associated with direct and exchange processes were examined for this intermediate coupling case.

Williams, W.↗

Interpretation of the silver L X-ray spectrum

Analysis of the Ag L-series X-ray spectrum has been performed, based on relaxed-orbital relativistic transition-energy calculations. Satellite energies were computed in intermediate coupling. It is found that satellites arising from LN double-hole states generally fall within the natural width of the parent diagram lines. Contrary to previous assumption, the observed high-energy satellites are due to LM double-hole states produced by L1-L3M4,5 Coster-Kronig transitions and by shakeoff. The observed peak structure in the satellite spectrum is due to multiplet splitting of the initial and final double-hole states. Theoretical L1-L3M4,5 transition rates based on the Coster-Kronig energies computed by Chen et al. (1977) are closer to experiment than previous results, but still are too large by a factor of about 2, indicating an as-yet undetected flaw in the theory.

Chen, M. H.↗