XAFS spectroscopy. I. Extracting the fine structure from the absorption spectra

Abstract

Three independent techniques are used to separate fine structure from the absorption spectra, the background function in which is approximated by (i) smoothing spline. We propose a new reliable criterion for determination of smoothing parameter and the method for raising of stability with respect to k_min variation; (ii) interpolation spline with the varied knots; (iii) the line obtained from bayesian smoothing. This methods considers various prior information and includes a natural way to determine the errors of XAFS extraction. Particular attention has been given to the estimation of uncertainties in XAFS data. Experimental noise is shown to be essentially smaller than the errors of the background approximation, and it is the latter that determines the variances of structural parameters in subsequent fitting.

16 pages, 7 figures, for freeware XAFS analysis program, see http://www.crosswinds.net/~klmn/viper.html

References in corpus (1)

• X-ray Absorption Fine Structure in Embedded Atoms

Cited by in corpus (36)

• Crystallization characteristics and chemical bonding properties of nickel carbide thin film nanocomposites
• Structure and bonding in amorphous iron carbide thin films
• Structural and paramagnetic properties of dilute Ga1-xMnxN
• Embedded magnetic phases in (Ga,Fe)N: the key role of growth temperature
• Local tetragonal distortion in La_{0.7}Sr_{0.3}MnO_3 strained thin films probed by x-ray absorption spectroscopy
• Local structure of (Ga,Fe)N and (Ga,Fe)N:Si investigated by x-ray absorption fine structure spectroscopy
• Local chemical bonding and structural properties in Ti3AlC2 MAX phase and Ti3C2Tx MXene probed by Ti 1s X-ray absorption spectroscopy
• Local motifs in GeS${}_2$-Ga${}_2$S${}_3$ glasses
• Deconvolution problems in x-ray absorption fine structure
• Atomic level structure of Ge-Sb-S glasses: chemical short range order and long Sb-S bonds
• Chemical Bonding in Epitaxial ZrB2 Studied by X-ray Spectroscopy
• Spin-Coupled Local Distortions in Multiferroic Hexagonal HoMnO3
• Local Structure of Thermoelectric Ca3Co4O9
• Structural and Magnetic Properties of CoO-Pt core-shell nanoparticles
• Structure and Bonding in Amorphous Cr1-xCx Nanocomposite Thin Films: X-ray Absorption Spectra and First-Principles Calculation
• Local Structure of Multiferroic TbMn2O5: Evidence for an Anomalous Terbium Oxygen Distribution
• Bonding Structures of ZrHx Thin Films by X-ray Spectroscopy
• Chemical order in Ge-Ga-Sb-Se glasses
• A Simple Bayesian Method for Improved Analysis of Quasi-2D Scattering Data
• Decoding Structure-Spectrum Relationships with Physically Organized Latent Spaces
• Nature of the Structural Symmetries Associated with Hybrid Improper Ferroelectricity in Ca3X2O7
• The structure of near stoichiometric Ge-Ga-Sb-S glasses: a reverse Monte Carlo study
• Short range order and topology of Ge${}_x$Ga${}_x$Te${}_{100-2x}$ glasses
• Fe-As bond fluctuations in a double-well potential in LaFeAsO
• Measurements and ab initio Molecular Dynamics Simulations of the High Temperature Ferroelectric Transition in Hexagonal RMnO3
• The Origin of Ti 1s XANES Main Edge Shifts and EXAFS Oscillations in the Energy Storage Materials Ti2CTx and Ti3C2Tx MXenes
• The origin of anisotropy and high density of states in the electronic structure of Cr${}_2$GeC by means of polarized soft X-ray spectroscopy and ab initio calculations
• Local order in binary Ge-Te glasses - an experimental study
• Bonding trends within ternary Isocoordinate chalcogenide glasses GeAsSe
• Polar State in Freestanding Strontium Titanate Nanoparticles
• Chemical ordering in Pd${}_{81}$Ge${}_{19}$ metallic glass studied by reverse Monte-Carlo modelling of XRD, ND and EXAFS experimental data
• Thermoelectric properties and electronic structure of Cr(Mo,V)Nx thin films studied by synchrotron and lab-based X-ray spectroscopy
• Structural changes in Ti1-xAlxN coatings during turning: A XANES and EXAFS study of worn tools
• Electronic structure and local distortions in epitaxial ScGaN films
• Silver environment and covalent network rearrangement in GeS3-Ag glasses
• Incorporation of Mn in Al${}_x$Ga${}_{1-x}$N probed by x-ray absorption and emission spectroscopy, high-resolution microscopy, x-ray diffraction and first-principles calculations