First principle study of the electronic structure of hafnium-doped anatase TiO 2

Journal of Semiconductors

Volumn 33, Issue 1, 2012, Pages

  Li, Lezhong ^a   Yang, Weiqing ^a   Ding, Yingchun ^a   Zhu, Xinghua ^a  

^a CHENGDU UNIVERSITY OF INFORMATION TECHNOLOGY   (China)

Author keywords

anatase TiO 2; crystal structure; electronic structure; first principle; Hf doped

Indexed keywords

ANATASE TIO; DENSITY OF STATE; FIRST-PRINCIPLE STUDY; FIRST-PRINCIPLES; GENERALIZED GRADIENT APPROXIMATIONS; HF-DOPED; PLANE WAVE; TIO; ULTRASOFT PSEUDOPOTENTIALS;

CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; HAFNIUM;

TITANIUM DIOXIDE;

EID: 84862948406     PISSN: 16744926     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-4926/33/1/012002     Document Type: Article

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