First-principles GGA+U study of the different conducting properties in pentavalent-ion-doped anatase and rutile TiO2

Journal of Physics D: Applied Physics

Volumn 47, Issue 27, 2014, Pages

  Yang, Kesong ^a,b,c   Dai, Ying ^a   Huang, Baibiao ^a   Feng, Yuan Ping ^b  

^a SHANDONG UNIVERSITY   (China)

^b NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^c UNIVERSITY OF CALIFORNIA SAN DIEGO   (United States)

Author keywords

ab initio calculation; transparent conducting oxide

Indexed keywords

CALCULATIONS; ELECTRONIC PROPERTIES; FERMI LEVEL; IONS; OXIDE MINERALS;

AB INITIO CALCULATIONS; CONDUCTING PROPERTIES; EXPERIMENTAL VERIFICATION; HALF-METALLIC CHARACTERS; HIGH-ENERGY BARRIERS; INSULATING PROPERTIES; TIO; TRANSPARENT CONDUCTING OXIDE;

TITANIUM DIOXIDE;

EID: 84902822922     PISSN: 00223727     EISSN: 13616463     Source Type: Journal    
DOI: 10.1088/0022-3727/47/27/275101     Document Type: Article

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