Auxiliary fermion approach to the resonant inelastic x-ray scattering response in an underdoped cuprate

We describe a method for calculating the resonant inelastic x-ray scattering (RIXS) response—including the dynamics of the transient core hole—of many-body systems with nontrivial gap structure encoded in their single particle Green's function. Our approach introduces auxiliary fermions in order to obtain a form amenable to the determinant method of Benjamin et al., [Phys. Rev. Lett. 112, 247002 (2014)], and is applicable to systems where interactions are most strongly felt through a renormalization of the single particle propagator. As a test case we consider the Yang-Rice-Zhang ansatz for cuprate phenomena in the underdoped “pseudogap” regime, which remains a popular tool for interpreting the results of experimental probes. We show that taking the core hole dynamics into account for a system described by this ansatz pushes the RIXS peaks towards higher energy transfer, improving agreement with experiments

Electronic structure, local magnetism, and spin-orbit effects of Ir(IV)-, Ir(V)-, and Ir(VI)-based compounds

Element- and orbital-selective x-ray absorption and magnetic circular dichroism measurements are carried out to probe the electronic structure and magnetism of Ir 5d electronic states in double perovskite Sr2MIrO6 (M=Mg, Ca, Sc, Ti, Ni, Fe, Zn, In) and La2NiIrO6 compounds. All the studied systems present a significant influence of spin-orbit interactions in the electronic ground state. In addition, we find that the Ir 5d local magnetic moment shows different character depending on the oxidation state despite the net magnetization being similar for all the compounds. Ir carries an orbital contribution comparable to the spin contribution for Ir4+ (5d5) and Ir5+ (5d4) oxides, whereas the orbital contribution is quenched for Ir6+ (5d3) samples. Incorporation of a magnetic 3d atom allows getting insight into the magnetic coupling between 5d and 3d transition metals. Together with previous susceptibility and neutron diffraction measurements, the results indicate that Ir carries a significant local magnetic moment even in samples without a 3d metal. The size of the (small) net magnetization of these compounds is a result of predominant antiferromagnetic interactions between local moments coupled with structural details of each perovskite structure.This work was partially supported by the Spanish MINECO Projects No. MAT2014-54425-R and No. MAT2013-41099-R and by the Comunidad de Madrid Project No. S2009/PPQ-1551. M. A. Laguna-Marco acknowledges CSIC and European Social Fund for a JAE-Doc contract. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357.Peer Reviewe

Resonant Inelastic X-Ray Scattering at the K Edge of Ge

We study the resonant inelastic x-ray scattering (RIXS) at the $K$ edge of Ge. We measure RIXS spectra with systematically varying momenta in the final state. The spectra are a measure of exciting an electron-hole pair. We find a single peak structure (except the elastic peak) as a function of photon energy, which is nearly independent of final-state momenta. We analyze the experimental data by means of the band structure calculation. The calculation reproduces well the experimental shape, clarifying the implication of the spectral shape.Comment: 17 pages,9 figures, Please also see our related paper: cond-mat/040500

Transfer of Spectral Weight in Spectroscopies of Correlated Electron Systems

We study the transfer of spectral weight in the photoemission and optical spectra of strongly correlated electron systems. Within the LISA, that becomes exact in the limit of large lattice coordination, we consider and compare two models of correlated electrons, the Hubbard model and the periodic Anderson model. The results are discussed in regard of recent experiments. In the Hubbard model, we predict an anomalous enhancement optical spectral weight as a function of temperature in the correlated metallic state which is in qualitative agreement with optical measurements in $V_2O_3$. We argue that anomalies observed in the spectroscopy of the metal are connected to the proximity to a crossover region in the phase diagram of the model. In the insulating phase, we obtain an excellent agreement with the experimental data and present a detailed discussion on the role of magnetic frustration by studying the $k-$resolved single particle spectra. The results for the periodic Anderson model are discussed in connection to recent experimental data of the Kondo insulators $Ce_3Bi_4Pt_3$ and $FeSi$. The model can successfully explain the different energy scales that are associated to the thermal filling of the optical gap, which we also relate to corresponding changes in the density of states. The temperature dependence of the optical sum rule is obtained and its relevance for the interpretation of the experimental data discussed. Finally, we argue that the large scattering rate measured in Kondo insulators cannot be described by the periodic Anderson model.Comment: 19 pages + 29 figures. Submitted to PR

Comment on ``Spin Polarization and Magnetic Circular Dichroism in Photoemission from the 2p Core Level of Ferromagnetic Ni''

Although the Ni_4 cluster includes more information regarding the Ni band structure with respect to the Anderson impurity model, it also favors very peculiar ground states which are incompatible with a coherent picture of all dichroism experiments.Comment: 1 page, RevTeX, 1 epsf figur

Resonant Inelastic X-ray Scattering Studies of Elementary Excitations

In the past decade, Resonant Inelastic X-ray Scattering (RIXS) has made remarkable progress as a spectroscopic technique. This is a direct result of the availability of high-brilliance synchrotron X-ray radiation sources and of advanced photon detection instrumentation. The technique's unique capability to probe elementary excitations in complex materials by measuring their energy-, momentum-, and polarization-dependence has brought RIXS to the forefront of experimental photon science. We review both the experimental and theoretical RIXS investigations of the past decade, focusing on those determining the low-energy charge, spin, orbital and lattice excitations of solids. We present the fundamentals of RIXS as an experimental method and then review the theoretical state of affairs, its recent developments and discuss the different (approximate) methods to compute the dynamical RIXS response. The last decade's body of experimental RIXS data and its interpretation is surveyed, with an emphasis on RIXS studies of correlated electron systems, especially transition metal compounds. Finally, we discuss the promise that RIXS holds for the near future, particularly in view of the advent of x-ray laser photon sources.Comment: Review, 67 pages, 44 figure

Bulk screening in core level photoemission from Mott-Hubbard and Charge-Transfer systems

We report bulk-sensitive hard X-ray ($h\nu$ = 5.95 KeV) core level photoemission spectroscopy (PES) of single crystal V$_{1.98}$Cr$_{0.02}$O$_{3}$ and the high-$T_c$ cuprate Bi$_2$Sr$_{2}$CaCu$_{2}$O$_{8+\delta}$ (Bi2212). V$_{1.98}$Cr$_{0.02}$O$_{3}$ exhibits low binding energy "satellites" to the V $2p$ "main lines" in the metallic phase, which are suppressed in the antiferromagnetic insulator phase. In contrast, the Cu $2p$ spectra of Bi2212 do not show temperature dependent features, but a comparison with soft X-ray PES indicates a large increase in the $2p^5 3d^9$ "satellites" or $3d^9$ weight in the bulk. Cluster model calculations, including full multiplet structure and a screening channel derived from the coherent band at the Fermi energy, give very satisfactory agreement with experiments

Patterns of joint involvement in juvenile idiopathic arthritis and prediction of disease course: A prospective study with multilayer non-negative matrix factorization.

BACKGROUND: Joint inflammation is the common feature underlying juvenile idiopathic arthritis (JIA). Clinicians recognize patterns of joint involvement currently not part of the International League of Associations for Rheumatology (ILAR) classification. Using unsupervised machine learning, we sought to uncover data-driven joint patterns that predict clinical phenotype and disease trajectories. METHODS AND FINDINGS: We analyzed prospectively collected clinical data, including joint involvement using a standard 71-joint homunculus, for 640 discovery patients with newly diagnosed JIA enrolled in a Canada-wide study who were followed serially for five years, treatment-naïve except for nonsteroidal anti-inflammatory drugs (NSAIDs) and diagnosed within one year of symptom onset. Twenty-one patients had systemic arthritis, 300 oligoarthritis, 125 rheumatoid factor (RF)-negative polyarthritis, 16 RF-positive polyarthritis, 37 psoriatic arthritis, 78 enthesitis-related arthritis (ERA), and 63 undifferentiated arthritis. At diagnosis, we observed global hierarchical groups of co-involved joints. To characterize these patterns, we developed sparse multilayer non-negative matrix factorization (NMF). Model selection by internal bi-cross-validation identified seven joint patterns at presentation, to which all 640 discovery patients were assigned: pelvic girdle (57 patients), fingers (25), wrists (114), toes (48), ankles (106), knees (283), and indistinct (7). Patterns were distinct from clinical subtypes (P \u3c 0.001 by χ2 test) and reproducible through external data set validation on a 119-patient, prospectively collected independent validation cohort (reconstruction accuracy Q2 = 0.55 for patterns; 0.35 for groups). Some patients matched multiple patterns. To determine whether their disease outcomes differed, we further subdivided the 640 discovery patients into three subgroups by degree of localization-the percentage of their active joints aligning with their assigned pattern: localized (≥90%; 359 patients), partially localized (60%-90%; 124), or extended ( CONCLUSIONS: Multilayer NMF identified patterns of joint involvement that predicted disease trajectory in children with arthritis. Our hierarchical unsupervised approach identified a new clinical feature, degree of localization, which predicted outcomes in both cohorts. Detailed assessment of every joint is already part of every musculoskeletal exam for children with arthritis. Our study supports both the continued collection of detailed joint involvement and the inclusion of patterns and degrees of localization to stratify patients and inform treatment decisions. This will advance pediatric rheumatology from counting joints to realizing the potential of using data available from uncovering patterns of joint involvement

The Herschel Comprehensive (U)LIRG Emission Survey (HerCULES): CO Ladders, fine structure lines, and neutral gas cooling

(Ultra) Luminous Infrared Galaxies ((U)LIRGs) are objects characterized by their extreme infrared (8-1000 $\mu$m) luminosities ($L_{LIRG}>10^{11}$L$_\odot$ and $L_{ULIRG}>10^{12}$ L$_\odot$). The Herschel Comprehensive ULIRG Emission Survey (HerCULES; PI van der Werf) presents a representative flux-limited sample of 29 (U)LIRGs that spans the full luminosity range of these objects (10$^{11}\leq L_\odot \geq10^{13}$). With the \emph{Herschel Space Observatory}, we observe [CII] 157 $\mu$m, [OI] 63 $\mu$m, and [OI] 145 $\mu$m line emission with PACS, CO J=4-3 through J=13-12, [CI] 370 $\mu$m, and [CI] 609 $\mu$m with SPIRE, and low-J CO transitions with ground-based telescopes. The CO ladders of the sample are separated into three classes based on their excitation level. In 13 of the galaxies, the [OI] 63 $\mu$m emission line is self absorbed. Comparing the CO excitation to the IRAS 60/100 $\mu$m ratio and to far infrared luminosity, we find that the CO excitation is more correlated to the far infrared colors. We present cooling budgets for the galaxies and find fine-structure line flux deficits in the [CII], [SiII], [OI], and [CI] lines in the objects with the highest far IR fluxes, but do not observe this for CO $4\leq J_{upp}\leq13$. In order to study the heating of the molecular gas, we present a combination of three diagnostic quantities to help determine the dominant heating source. Using the CO excitation, the CO J=1-0 linewidth, and the AGN contribution, we conclude that galaxies with large CO linewidths always have high-excitation CO ladders, and often low AGN contributions, suggesting that mechanical heating is important