Significance and tables of key physico-chemical parameters

摘要: For general X-ray absorption spectroscopy (XAS) or X-ray absorption fine-structure (XAFS) analysis, whether focusing on the pre-edge, the X-ray absorption near-edge structure (XANES), the standard full XAFS region or the higher-energy extended XAFS region (EXAFS), a series of important parameters come into the theory across the whole International Tables for Crystallography. For near-edge and pre-edge structure, the definition of the Fermi level EF is critical. The ionization hole width ΓH and inner-shell hole excited-state lifetime τH are another pair of critical parameters that limit the information content of the near-edge spectrum, revealing key physics. The Debye temperature ΘD represents the complex dynamical behaviour of electrons in the quantum system. Much less understood is the damping of the signal due to the photoelectron wave inelastic mean free path λIMFP, the electron energy-loss function, the …