First principles study on electronic structures and properties of Sn-doped rutile TiO2

Computational Materials Science

Volumn 49, Issue 2, 2010, Pages 430-434

  Yu, Xiaohui ^a   Li, Changsheng ^a   Tang, Hua ^a   Ling, Yun ^a,b   Tang, Ting Ao ^b   Wu, Qiong ^a   Kong, Junjie ^c  

^a JIANGSU UNIVERSITY   (China)

^b FUDAN UNIVERSITY   (China)

^c SUZHOU INSTITUTE OF NANO TECH AND NANO BIONICS   (China)

Author keywords

Electronic structures; First principles; Sn doped

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; ENERGY BAND STRUCTURE; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; INTERSTITIAL SITES; LOCAL STRUCTURE; OPTICAL ABSORPTION EDGE; RED SHIFT; RUTILE TIO; SN DOPING; SN-DOPED;

DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; OPTICAL PROPERTIES; OXIDE MINERALS; SOLIDS;

TIN;

EID: 77955424726     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.05.034     Document Type: Article

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