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'Forbidden' Bragg reflections of iron orthoborate Fe3BO6 were studied theoretically and experimentally in the vicinity of the iron K edge. Their energy spectra are explained as resulting from the interference of x-rays scattered from two…

Strongly Correlated Electrons · Physics 2009-06-15 G Beutier , E Ovchinnikova , S P Collins , V E Dmitrienko , J E Lorenzo , J-L Hodeau , A Kirfel , Y Joly , A A Antonenko , V A Sarkisyan , A Bombardi

This study presents an \textit{ab initio} investigation of the XANES spectra at the aluminum K edge for three compounds: Al$_2$O$_3$, AlF$_3$ and AlCl$_3$, where the Al atoms share the same oxidation state~(III) and are coordinated in an…

Materials Science · Physics 2024-11-14 Newman Amoyaw , Abezu Agegnehu , Francesco Sottile , Matteo Gatti , M. Laura Urquiza

X-ray absorption is the standard method to probe the unoccupied density of states at a given edge. Here we show that polarized Resonant Inelastic X-Ray Scattering in La2CuO4 at the Cu K-edge is extremely sensitive to the environment of the…

Strongly Correlated Electrons · Physics 2009-11-11 A. Shukla , M. Calandra , M. Taguchi , A. Kotani , G. Vanko , S-W. Cheong

We report an x-ray scattering study of octahedral tilt ordering in the manganite series Pr$_{1-x}$Ca$_x$MnO$_3$ with x=0.4 and 0.25 and in LaMnO$_3$. The sensitivity to tilt ordering is achieved by tuning the incident x-ray energy to the…

We report high-resolution X-ray Absorption Near Edge Structure (XANES) measurements at the Mn K-edge as a function of temperature, for La$_{1-x}$Ca$_x$MnO$_3$ samples, with a focus mainly on the pre-edge region. Small peaks labeled…

Condensed Matter · Physics 2009-10-31 F. Bridges , C. H. Booth , G. H. Kwei , J. J. Neumeier , G. A. Sawatzky

The transition metal K-edge x-ray absorption near edge structure (XANES) studies have been carried on LaBO3 (B=Mn, Fe, Co, Ni), La2CuO4 and SrMnO3 compounds. The theoretical spectra have been calculated using transition metal (TM) 4p…

Strongly Correlated Electrons · Physics 2007-05-23 S. K. Pandey , S. Khalid , A. V. Pimpale

Experiments with resonant photons at the U M4 edge have been performed on a sample of USb_{0.9}Te_{0.1}, which has an incommensurate magnetic structure with k = 0.596(2) reciprocal lattice units. The reflections of the form <kkk>, as…

Strongly Correlated Electrons · Physics 2009-11-11 B. Detlefs , S. B. Wilkins , P. Javorský , E. Blackburn , G. H. Lander

We report measured dipolar asymmetry ratios at the LIII edges of the heavy rare earth metals. The results are compared with a first principles calculation and excellent agreement is found. A simple model of the scattering is developed,…

We study the magnetic resonant x-ray scattering (RXS) spectra around the $K$ edge of Cu in KCuF$_3$ on the basis of an {\em ab initio} calculation. We use the full-potential linearlized augmented plane wave method in the LDA$+U$ scheme, and…

Strongly Correlated Electrons · Physics 2009-11-07 M. Takahashi , M. Usuda , J. Igarashi

Room temperature Co K- and La L-edges X-ray absorption studies have been carried out on LaCoO$_3$. Experimental near edge structures have been analysed by theoretical LDA+U density of states (DOS) and multiple scattering (MS) calculations.…

Strongly Correlated Electrons · Physics 2007-05-23 S. K. Pandey , Ashwani Kumar , S. Khalid , A. V. Pimpale

We study resonant x-ray scattering (RXS) at Np M_{4,5} edges in the triple-\textbf{k} multipole ordering phase in NpO_{2}, on the basis of a localized electron model. We derive an expression for RXS amplitudes to characterize the spectra…

Strongly Correlated Electrons · Physics 2015-06-25 Tatsuya Nagao , Jun-ichi Igarashi

The local atomic disorder and the electronic structure in the environment of manganese atoms in LaMnO_3 has been studied by x-ray absorption spectroscopy, over a temperature range (300K to 870K) covering the orbital ordering transition…

Strongly Correlated Electrons · Physics 2009-11-10 Raquel A. Souza , Narcizo M. Souza-Neto , Aline Y. Ramos , Helio C. N. Tolentino , Eduardo Granado

The X-ray scattering intensities I(k) of linear alkanols OH(CH2)n-1CH3, obtained from experiments (methanol to 1-undecanol) and computer simulations (methanol to 1-nonanol) of different force field models, are comparatively studied,…

Chemical Physics · Physics 2020-06-22 Martina Pozar , Jennifer Bolle , Christian Sternemann , Aurélien Perera

Epitaxial BiFeO3/SrRuO3 superlattices have been grown by pulsed laser deposition on a (001) oriented LaAlO3 substrate and probed by X-ray diffraction and Raman spectroscopy. To investigate the structural competition between rhombohedral…

Materials Science · Physics 2021-07-09 S. Yousfi , M. El Marssi , H. Bouyanfif

The effects of uniaxial strain on the structural, orbital, optical, and magnetic properties of LaMnO_3 are calculated using a general elastic energy expression, along with a tight-binding parameterization of the band theory. Tensile…

Strongly Correlated Electrons · Physics 2009-10-31 K. H. Ahn , A. J. Millis

We analyze theoretically the resonant inelastic x-ray scattering (RIXS) at the Ni K edge in the stripe-ordered state of La_{2-x}Sr_xNiO_4 at x=1/3. In the calculation of RIXS spectra, the stripe-ordered ground state is described within the…

Strongly Correlated Electrons · Physics 2012-01-18 Takuji Nomura , Eiji Kaneshita

In a recent published paper [Phys. Rev. B 64, 195133 (2001)], Zimmermann et al. present a systematic x-ray scattering study of charge and orbital ordering phenomena in the Pr1-xCaxMnO3 series with x= 0.25, 0.4 and 0.5. They propose that for…

Strongly Correlated Electrons · Physics 2009-11-10 Joaquin Garcia , Gloria Subias

The recent discovery that resonant inelastic x-ray scattering can probe single-magnon (SM) dispersions in transition metal (TM) oxides when the x-ray energy is tuned to the TM $L$-edge, has put this technique on a par with inelastic neutron…

Strongly Correlated Electrons · Physics 2015-08-19 Beom Hyun Kim , Jeroen van den Brink

We present a temperature and doping dependent resonant inelastic X-ray scattering experiment at the V L$_{2,3}$ and O K edges in La$_{1-x}$Sr$_x$VO$_3$ for $x=0$ and $x=0.1$. This material is a canonical example of a compound that exhibits…

We present a combined study of Ni $K$-edge resonant x-ray scattering and density functional calculations to probe and distinguish electronically driven ordering and lattice distortions in nickelate heterostructures. We demonstrate that due…