Sodium K Edge XANES Calculation in NaCl Type Structures

Autor:	R. J. Prado, A. M.Flank
Rok vydání:	2005
Předmět:	Materials science K-edge chemistry Series (mathematics) Sodium Analytical chemistry chemistry.chemical_element Halide Type (model theory) Condensed Matter Physics Mathematical Physics Atomic and Molecular Physics and Optics XANES
Zdroj:	Physica Scripta. :165
ISSN:	0031-8949
DOI:	10.1238/physica.topical.115a00165
Popis:	Sodium K edge XANES calculations were performed for sodium halides, using the last version of the ab-initio FEFF code, and compared with the experimental data. Several FEFF parameters were varied during calculations, aiming to investigate their influence on the theoretical results. The origin of the differences between the experimental data of the series are analyzed and discussed, supported by the theoretical calculation.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::00c6340cd10a5b4d135c582e69dc40aa https://doi.org/10.1238/physica.topical.115a00165 Zobrazit plný text záznamu