TITLE

On the possibility of ferromagnetism in carbon-doped anatase TiO2

AUTHOR(S)
Yang, Kesong; Dai, Ying; Huang, Baibiao; Whangbo, Myung-Hwan
PUB. DATE
September 2008
SOURCE
Applied Physics Letters;9/29/2008, Vol. 93 Issue 13, p132507
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
To see if ferromagnetism can occur in C-doped anatase TiO2, we performed first-principles calculations for a number of C-doped structures in which C atoms substitute O atoms. Our study shows that each C has spin-polarized 2p states in the band gap generating a magnetic moment of 2.0μB. The magnetic coupling between doped C atoms is substantial leading to either antiferromagnetism or ferromagnetism when the C...C distance lies between 3–4 Å. A strong ferromagnetic coupling occurs when the two C atoms form a slightly bent C–Ti–C unit by replacing two oxygen atoms at the opposite vertices of a TiO6 octahedron.
ACCESSION #
34771888

 

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