International Tables for Crystallography
Volume I: X-ray absorption spectroscopy and related techniques
First online edition (2020) ISBN: 978-1-119-43394-1 doi: 10.1107/97809553602060000116
Edited by C. T. Chantler, F. Boscherini and B. Bunker
Early view chapters
- Deposition of XAFS data| html | pdf |
- X-ray interactions with matter| html | pdf |
- Tensorial interactions of X-rays| html | pdf |
- Multiple-scattering theory of X-ray absorption spectroscopy as a structural tool| html | pdf |
- Multiplet approaches in X-ray absorption spectroscopy| html | pdf |
- XANES: theory and approaches| html | pdf |
- EXAFS: theory and approaches| html | pdf |
- Pre-edge structure, selection rules and quadrupole contributions| html | pdf |
- XAFS with secondary process modalities and introduction to fluorescence and nonradiative processes| html | pdf |
- Inelastic scattering of electrons in solids| html | pdf |
- Green's functions applied to the theory of spectroscopy| html | pdf |
- Finite-difference method for the calculation of X-ray spectroscopies| html | pdf |
- Density-functional theory approaches to XAS in solids| html | pdf |
- Core-hole potentials and related effects| html | pdf |
- Thermal effects on EXAFS| html | pdf |
- Relativistic effects on energies, transitions and basis states| html | pdf |
- X-ray linear dichroism: dependence of XAFS on the orientation of the sample with respect to the incoming radiation| html | pdf |
- Magnetic ordering and its influence on X-ray spectroscopies| html | pdf |
- Magnetic X-ray techniques| html | pdf |
- Inelastic X-ray scattering| html | pdf |
- X-ray excited optical luminescence| html | pdf |
- Diffraction anomalous fine structure: basic formalism| html | pdf |
- Combined approaches and challenges: XAS and UV–visible and vibrational spectroscopy| html | pdf |
- Combined approaches and challenges: X-ray absorption spectroscopy and X-ray diffraction| html | pdf |
- Sum rules for the analysis of nuclear resonant absorption spectra| html | pdf |
- Significance and tables of key physico-chemical parameters| html | pdf |
- Bragg crystal monochromators| html | pdf |
- Grating-based monochromators| html | pdf |
- Energy-scanning and energy-dispersive spectrometers for XAFS| html | pdf |
- Beam drift, control and polarization| html | pdf |
- Micro- and nano-XAFS: spatially resolved XAFS| html | pdf |
- X-ray focusing methods for X-ray absorption spectroscopy| html | pdf |
- Control of X-ray polarization| html | pdf |
- Sample-thickness effects| html | pdf |
- Accurate data: mapping sample absorption and thickness effects| html | pdf |
- Thin and ultrathin films and multilayers| html | pdf |
- Mixed-phase heterogeneity| html | pdf |
- XAS cryostats and cryogenic studies| html | pdf |
- Cells for spectroscopy of fluids at elevated pressure and temperature| html | pdf |
- Electrochemical cells for in situ XAS studies| html | pdf |
- Soft X-ray absorption spectra| html | pdf |
- XAFS and thermodynamic variables (pressure and temperature) to investigate matter| html | pdf |
- Extreme conditions: high pressure/high temperature| html | pdf |
- Electron yield: total, Auger and photoemission| html | pdf |
- X-ray magnetic circular dichroism| html | pdf |
- Diffraction anomalous fine structure: experiment and data analysis| html | pdf |
- Nonlinearities in solid-state fluorescence detectors| html | pdf |
- Daisy wheels and the monitoring, measurement and correction of harmonic contamination and fluorescence background| html | pdf |
- Special considerations for insertion-device beamlines| html | pdf |
- Geometry for data collection| html | pdf |
- Self-absorption corrections| html | pdf |
- Bandwidth and divergence| html | pdf |
- Multiple-sample approaches: standard downstream reference-sample calibration and multiple active samples| html | pdf |
- XAFS spectral distortions related to optics issues| html | pdf |
- Sample-related issues| html | pdf |
- Detector-related issues| html | pdf |
- ReflXAFS data analysis| html | pdf |
- Data acquisition and determination of precision and uncertainty| html | pdf |
- Absolute measurement of X-ray absorption spectroscopy| html | pdf |
- Oversampling and conversion to k-space| html | pdf |
- Fourier transforms in EXAFS| html | pdf |
- Multiple-scattering EXAFS analysis| html | pdf |
- Shake-up and shake-off processes| html | pdf |
- Extraction of χ: calibrations and limitations| html | pdf |
- Goodness-of-fit measures in XAS, χ2r calibrations and limitations, and hypothesis testing| html | pdf |
- Statistical measure of confidence| html | pdf |
- Unknown systematics and impact upon information content of data| html | pdf |
- The cumulant approach and the ratio method| html | pdf |
- Use of reference standards| html | pdf |
- Reverse Monte Carlo and molecular-dynamics approaches to EXAFS analysis| html | pdf |
- Bayesian techniques: an overview| html | pdf |
- Normalization of XANES spectra| html | pdf |
- Fingerprinting: principal component analysis and linear combination fitting| html | pdf |
- Statistical analysis in XANES spectroscopy| html | pdf |
- Comparing XANES calculations with experiment| html | pdf |
- GNXAS. I. Phase shifts and signal calculations| html | pdf |
- FPMS: full potential multiple scattering| html | pdf |
- XSpectra: a density-functional-theory-based plane-wave pseudopotential code for XANES calculation| html | pdf |
- WIEN2k, an augmented plane wave plus local orbital package for the electronic structure of solids| html | pdf |
- The OCEAN suite: core excitations| html | pdf |
- exciting core-level spectroscopy| html | pdf |
- EDA: EXAFS data-analysis software package| html | pdf |
- GNXAS. II. Structural refinement of experimental data| html | pdf |
- Multiplatform Applications for XAFS (MAX)| html | pdf |
- MXAN: a method for the quantitative structural analysis of the XANES energy region| html | pdf |
- PrestoPronto: a software package for large EXAFS data sets| html | pdf |
- Real-Space X-ray Absorption Package (RSXAP)| html | pdf |
- SIXPACK: a graphical user interface for XAS analysis| html | pdf |
- VIPER and XANES Dactyloscope| html | pdf |
- xafsX: a program to process, analyse and reduce X-ray absorption fine-structure spectra (XAFS)| html | pdf |
- LASE: Logiciel d'Analyse des Spectres Expérimentaux| html | pdf |
- Developing specifications for XAFS information interchange| html | pdf |
- Validation procedures for XAFS| html | pdf |
- Photoexcitation processes in atoms| html | pdf |
- Many-body quantum physics in XANES of highly correlated materials, mixed-valence oxides and high-temperature superconductors| html | pdf |
- Magnetism and magnetic materials| html | pdf |
- Liquids, glasses and amorphous solids| html | pdf |
- X-ray absorption spectroscopy under extreme conditions of pressure| html | pdf |
- Surfaces and interfaces| html | pdf |
- Selected case studies in heterogeneous catalysis| html | pdf |
- EXAFS applications in coordination chemistry| html | pdf |
- Time-resolved optical pump/X-ray absorption spectroscopy probe| html | pdf |
- Metalloproteins and systems of biological relevance| html | pdf |
- Applications of XAS in earth sciences| html | pdf |
- Environmental applications of X-ray spectroscopy| html | pdf |
- The use of XAS and related methods in cultural heritage investigations| html | pdf |
- Studies of fundamental photoexcitation and photoelectron-scattering processes| html | pdf |
- Quick EXAFS studies in catalysis| html | pdf |
- X-ray absorption spectroscopy definitions| html | pdf |