First principle calculations of the Sn doped anatase TiO2

Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering

Volumn 37, Issue 2, 2008, Pages 219-222

  Cao, Honghong ^a   Chen, Qiang ^a   Wang, Tianmin ^a  

^a BEIHANG UNIVERSITY   (China)

Author keywords

Charge density; Electronic structure; First principle; Full potential linearized augmented plane wave method (FLAPW); TiO2

Indexed keywords

BAND STRUCTURE; CALCULATIONS; CHARGE DENSITY; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; ENERGY GAP; TIN COMPOUNDS;

FIRST PRINCIPLE CALCULATIONS; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD (FLAPW); GENERALIZED GRADIENT APPROXIMATION (GGA);

TITANIUM DIOXIDE;

EID: 41349108468     PISSN: 1002185X     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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