A density functional theory-based study of the electronic structures and properties of cage like metal doped silicon clusters

Journal of Applied Physics

Volumn 104, Issue 8, 2008, Pages

  Bandyopadhyay, Debashis ^a  

^a BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ELECTRON AFFINITY; ELECTRONIC STRUCTURE; GALLIUM ALLOYS; HAFNIUM; IONIZATION POTENTIAL; SILICON; ZIRCONIUM;

AB INITIO; ANION CLUSTERS; ENERGY DIFFERENCES; GENERALIZED GRADIENT APPROXIMATIONS; GEOMETRICAL OPTIMIZATIONS; IR AND RAMAN SPECTRUMS; METAL DOPED; OPTICAL BEHAVIORS; OPTIMIZED GEOMETRIES; POLARIZED BASIS SETS; SECOND ORDERS; SPIN POLARIZED; STRUCTURE CALCULATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 55249126183     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3000657     Document Type: Article

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