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Determination of Unit Cell Parameter and One‐Electron Model Potential of KCl by Using Soft X‐Ray Absorption Spectra
Author(s) -
Migal Yu.F.
Publication year - 1999
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/(sici)1521-3951(199903)212:1<3::aid-pssb3>3.0.co;2-s
Subject(s) - maxima , xanes , spectral line , electron , lattice (music) , tin , lattice constant , matrix (chemical analysis) , absorption (acoustics) , absorption spectroscopy , x ray absorption fine structure , x ray , computational physics , atomic physics , materials science , physics , molecular physics , chemistry , diffraction , spectroscopy , optics , quantum mechanics , art , performance art , acoustics , metallurgy , composite material , art history
Abstract A multiparameter scheme of determining geometric characteristics and constructing empirical muffin‐tin potential for nonmetallic crystals by using XANES data is proposed. It is based on the S ‐matrix pole equation for many‐centre systems. Input data are energies and halfwidths of spectral maxima of the one‐electron origin. The scheme is tested by determining the lattice parameter of KCl.