6 -- X-ray absorption spectroscopy in high-entropy material research

Abstract

This chapter introduces the use of X-ray absorption spectroscopy (XAS) in studying the local electronic and atomic structure of high-entropy materials. The element selectivity of XAS makes it particularly suitable to address the challenges posed by the study of multicomponent compounds. By analysing different parts of the X-ray absorption spectra for each element, one can obtain information on its chemical state from the X-ray absorption near-edge structure (XANES) and its local environment, distortions, and lattice dynamics from the extended X-ray absorption fine structure (EXAFS). The theoretical background underlying X-ray absorption spectra and existing data analysis procedures are briefly described, with particular emphasis on advanced atomistic modelling techniques that enable more reliable extraction of structural information. Finally, an overview of the applications of the XAS technique in studying high-entropy materials is presented.

Chpt 6 of "High-Entropy Alloys: Design, Manufacturing, and Emerging Applications"

References in corpus (9)

• Nuclear quantum effects enter the mainstream
• Lattice dynamics and correlated atomic motion from the atomic pair distribution function
• Ab initio molecular dynamics simulations of negative thermal expansion in ScF3: the effect of the supercell size
• Treatment of disorder effects in X-ray absorption spectra beyond the conventional approach
• Characterization of Zero-point Vibration in One-Component Crystals
• Advanced approach to the local structure reconstruction and theory validation on the example of the W L${}_3$-edge extended X-ray absorption fine structure of tungsten
• SpecSwap RMC: A novel reverse Monte Carlo approach using a discrete configuration space and pre-computed properties
• Inner relaxations in equiatomic single-phase high-entropy cantor alloy
• Peculiarities of the local structure in new medium- and high-entropy, low-symmetry tungstates