Electronic and magnetic properties of V-doped anatase TiO2 from first principles

Electronic and magnetic properties of V-doped anatase TiO2 from first principles

We report a first-principles study on the geometric, electronic, and magnetic properties of V-doped anatase TiO2. The DFT+U (Hubbard coefficient) approach predicts semiconductor band structures for Ti1−xVxO2 (x=6.25% and 12.5%), in good agreement with the poor conductivity of samples,...

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Bibliografische gegevens
Hoofdauteurs: Du, Xiaosong, Li, Qunxiang, Su, Haibin, Yang, Jinlong
Andere auteurs: School of Materials Science & Engineering
Formaat: Journal Article
Taal:English
Gepubliceerd in: 2011
Onderwerpen:
DRNTU::Engineering::Materials::Magnetic materials
Online toegang:https://hdl.handle.net/10356/92048
http://hdl.handle.net/10220/6924

Internet

https://hdl.handle.net/10356/92048
http://hdl.handle.net/10220/6924

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