Magnetic excitations in the metallic single-layer Ruthenates Ca(2-x)Sr(x)RuO(4) studied by inelastic neutron scattering

By inelastic neutron scattering, we have analyzed the magnetic correlations in the paramagnetic metallic region of the series Ca(2-x)Sr(x)RuO(4), 0.2<=x<=0.62. We find different contributions that correspond to 2D ferromagnetic fluctuations and to fluctuations at incommensurate wave vectors (0.11,0,0), (0.26,0,0) and (0.3,0.3,0). These components constitute the measured response as function of the Sr-concentration x, of the magnetic field and of the temperature. A generic model is applicable to metallic Ca(2-x)Sr(x)RuO(4) close to the Mott transition, in spite of their strongly varying physical properties. The amplitude, characteristic energy and width of the incommensurate components vary only little as function of x, but the ferromagnetic component depends sensitively on concentration, temperature and magnetic field. While ferromagnetic fluctuations are very strong in Ca1.38Sr0.62RuO4 with a low characteristic energy of 0.2 meV at T=1.5 K, they are strongly suppressed in Ca1.8Sr0.2RuO4, but reappear upon the application of a magnetic field and form a magnon mode above the metamagnetic transition. The inelastic neutron scattering results document how the competition between ferromagnetic and incommensurate antiferromagnetic instabilities governs the physics of this system

Optimal estimation for Large-Eddy Simulation of turbulence and application to the analysis of subgrid models

The tools of optimal estimation are applied to the study of subgrid models for Large-Eddy Simulation of turbulence. The concept of optimal estimator is introduced and its properties are analyzed in the context of applications to a priori tests of subgrid models. Attention is focused on the Cook and Riley model in the case of a scalar field in isotropic turbulence. Using DNS data, the relevance of the beta assumption is estimated by computing (i) generalized optimal estimators and (ii) the error brought by this assumption alone. Optimal estimators are computed for the subgrid variance using various sets of variables and various techniques (histograms and neural networks). It is shown that optimal estimators allow a thorough exploration of models. Neural networks are proved to be relevant and very efficient in this framework, and further usages are suggested

Crystal and magnetic structure of La_{1-x}Sr_{1+x}MnO_{4} : role of the orbital degree of freedom

The crystal and magnetic structure of La_{1-x}Sr_{1+x}MnO_4 (0<x<0.7) has been studied by diffraction techniques and high resolution capacitance dilatometry. There is no evidence for a structural phase transition like those found in isostructural cuprates or nickelates, but there are significant structural changes induced by the variation of temperature and doping which we attribute to a rearrangement of the orbital occupation.Comment: 8 pages, 6 figures, submitted to PR

Spectroscopy of stripe order in La1.8Sr0.2NiO4 using resonant soft x-ray diffraction

Strong resonant enhancements of the charge-order and spin-order superstructure-diffraction intensities in La1.8Sr0.2NiO4 are observed when x-ray energies in the vicinity of the Ni L2,3 absorption edges are used. The pronounced photon-energy and polarization dependences of these diffraction intensities allow for a critical determination of the local symmetry of the ordered spin and charge carriers. We found that not only the antiferromagnetic order but also the charge-order superstructure resides within the NiO2 layers; the holes are mainly located on in-plane oxygens surrounding a Ni2+ site with the spins coupled antiparallel in close analogy to Zhang-Rice singlets in the cuprates.Comment: 4 pages, 3 figure

Magnetic Phase Diagram of Ca2-xSrxRuO4 Governed by Structural Distortions

We constructed, by the first-principles calculations, a magnetic phase diagram of Sr$_{2}$RuO$_4$ in the space spanned by structural distortions. Our phase diagram can qualitatively explain the experimental one for Ca$_{2-x}$Sr$_x$RuO$_4$. We found that the rotation and the tilting of RuO$_6$ octahedron are responsible for the ferro- and antiferro-magnetism, respectively, while the flattening of RuO$_6$ is the key factor to stabilize those magnetic ground states. Our results imply that the magnetic and the structural instabilities in Sr$_2$RuO$_4$ are closely correlated cooperatively rather than competitively.Comment: 3 figures; accepted by PRB as rapid communicatio

Orbital Dependent Phase Control in Ca2-xSrxRuO4

We present first-principles studies on the orbital states of the layered perovskites Ca$_{2-x}$Sr$_x$RuO$_4$. The crossover from antiferromagnetic (AF) Mott insulator for $x < 0.2$ to nearly ferromagnetic (FM) metal at $x=0.5$ is characterized by the systematic change of the $xy$ orbital occupation. For the AF side ($x < 0.2$), we present firm evidence for the $xy$ ferro-orbital ordering. It is found that the degeneracy of $t_{2g}$ (or $e_g$) states is lifted robustly due to the two-dimensional (2D) crystal-structure, even without the Jahn-Teller distortion of RuO$_6$. This effect dominates, and the cooperative occupation of $xy$ orbital is concluded. In contrast to recent proposals, the resulting electronic structure explains well both the observed X-ray absorption spectra and the double peak structure of optical conductivity. For the FM side ($x=0.5$), however, the $xy$ orbital with half filling opens a pseudo-gap in the FM state and contributes to the spin $S$=1/2 moment (rather than $S$=1 for $x$=0.0 case) dominantly, while $yz,zx$ states are itinerant with very small spin polarization, explaining the recent neutron data consistently.Comment: 17 pages, 5 figure

Structural and magnetic aspects of the metal insulator transition in Ca2−x_{2-x}Srx_xRuO4_4

The phase diagram of Ca$_{2-x}$Sr$_x$RuO$_4$ has been studied by neutron diffraction on powder and single-crystalline samples. The experiments reveal antiferromagnetic order and structural distortions characterized by tilts and rotations of the RuO$_6$-octahedra. There is strong evidence that the structural details of the isovalent samples tune the magnetic as well as the electronic behavior. In particular we observe for low Sr-concentration a metal insulator transition associated with a structural change and magnetic ordering