Article ID Journal Published Year Pages File Type
1562784 Computational Materials Science 2010 8 Pages PDF
Abstract
Some nuclear resonance experiments are reconsidered using comparison with first-principles calculations. The general problem of processing of spectra and further interpretation of parameters obtained is discussed. The parameters of hyperfine interaction for systems Fe5SiC, Fe-Si, Fe-Al and a multilayer system Fe9/Cr5 are calculated. Typical mistakes in processing of Mossbauer or NMR spectra and estimation of local atomic properties are revealed.
Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
Authors
, ,