Ab initio simulation of the electron energy-loss near-edge structures at the LiK edge in Li, Li2O, and LiMn2O4

Ab initio simulations of the electron energy-loss near edge structures (ELNES) at the Li K edge were obtained with the WIEN2k code, which is based on the density functional theory (DFT). Since the 1s states of the lithium atoms must be considered as semicore states, the standard procedure to calcula...

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Veröffentlicht in:	Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2006-09, Vol.74
Hauptverfasser:	Mauchamp, V., Boucher, Florent, Ouvrard, G., Moreau, P.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Sciences Condensed Matter Material chemistry Materials Science Physics
Online-Zugang:	Volltext
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