Ab initio EPR study of S3- and Se3 - defects in alkali halides

International Journal of Quantum Chemistry

Volumn 102, Issue 4, 2005, Pages 409-414

  Stevens, F ^a   Vrielinck, H ^a   Callens, F ^a   Pauwels, E ^a   Van Speybroeck, V ^a   Waroquier, M ^a  

^a GHENT UNIVERSITY   (Belgium)

Author keywords

Chalcogen defect; Density functional theory (DFT); Electron nuclear double resonance (ENDOR); Electron paramagnetic resonance (EPR); Ionic lattice; Trivacancy model

Indexed keywords

CRYSTAL LATTICES; HALIDE MINERALS; MATHEMATICAL MODELS; NEGATIVE IONS; PARAMAGNETIC RESONANCE; SELENIUM; SODIUM CHLORIDE;

CHALCOGEN DEFECTS; ELECTRON NUCLEAR DOUBLE RESONANCE (ENDOR); IONIC LATTICE; TRIVACANCY MODEL;

SULFUR;

EID: 17644384850     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20389     Document Type: Article

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