Theoretical study of the effects of F to Cl chemical substitution on the electronic structure and the luminescence properties of Cs2 Ge F 6: Os4+ and Cs2 Zr Cl6: Os 4+ materials

Journal of Chemical Physics

Volumn 124, Issue 12, 2006, Pages

  Pascual, Josá Luis ^a   Barandiarán, Zoila ^b   Seijo, Luis ^b  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^b INSTITUTO NICOLÁS CABRERA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; ENERGY GAP; GROUND STATE; IRON; LUMINESCENCE; NEGATIVE IONS; QUANTUM THEORY; SUBSTITUTION REACTIONS;

AB INITIO QUANTUM CHEMICAL CALCULATIONS; CHEMICAL SUBSTITUTION; GEOMETRICAL STRUCTURE; VIBRATIONAL FREQUENCY;

CESIUM COMPOUNDS;

EID: 34547139428     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2180772     Document Type: Article

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