Highly localised excitons in sodium halides: a linear combination of Gaussian-type orbitals Xαmodel cluster study

Autor:	N Rosch, P Knappe, B I Dunlap, E Bertel, F P Netzer
Rok vydání:	1988
Předmět:	Physics Gaussian Exciton Relaxation (NMR) General Engineering General Physics and Astronomy Halide Condensed Matter Physics Alkali metal Condensed Matter::Materials Science symbols.namesake Atomic orbital Excited state Physics::Atomic and Molecular Clusters symbols Cluster (physics) Atomic physics
Zdroj:	Journal of Physics C: Solid State Physics. 21:3423-3436
ISSN:	0022-3719
DOI:	10.1088/0022-3719/21/18/008
Popis:	A cluster model that takes relaxation and Madelung effects into account is found suitable for the investigation of strongly localised excitations of alkali halide crystals in the soft-X-ray range. Application to NaCl and NaF confirms that the structures below the photoconduction threshold are due to excitonic quasi-atomic 'inner-well' states but, based on these cluster calculations, new assignments are given for all excitations except the first excited state. For NaCl, the two peaks assigned to Na 3d-type final states which split in the octahedral environment show an ordering eg
Databáze:	OpenAIRE
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