First-principles calculations for geometrical structures and electronic properties of Si-doped TiO2

Chemical Physics Letters

Volumn 456, Issue 1-3, 2008, Pages 71-75

  Yang, Kesong ^a   Dai, Ying ^a   Huang, Baibiao ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; ELECTRONIC PROPERTIES; FERMI LEVEL; SILICON COMPOUNDS; SPIN POLARIZATION; TITANIUM DIOXIDE; VALENCE BANDS;

ELECTRON TRANSITION ENERGY; GEOMETRICAL STRUCTURES;

DENSITY FUNCTIONAL THEORY;

EID: 41749106885     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.03.018     Document Type: Article

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