Density functional theory investigation of S2-in KCl: Evidence for the existence of a di-vacancy site

Solid State Communications

Volumn 132, Issue 11, 2004, Pages 787-790

  Stevens, F ^a   Vrielinck, H ^a   Callens, F ^a   Waroquier, M ^a  

^a GHENT UNIVERSITY   (Belgium)

Author keywords

E. Electron paramagnetic resonance

Indexed keywords

CRYSTAL DEFECTS; CRYSTAL LATTICES; DOPING (ADDITIVES); GROUND STATE; IONS; PARAMAGNETIC RESONANCE; POTASSIUM COMPOUNDS; PROBABILITY DENSITY FUNCTION;

CHALCOGENS; DENSITY FUNCTIONAL THEORY; MICROSCOPIC STRUCTURES; UNPAIRED ELECTRONS;

SULFUR;

EID: 9444274085     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2004.09.030     Document Type: Article

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