Back to Search
Start Over
The geometric structure influence on the ferromagnetism in Carbon-doped anatase : First-principles study
- Source :
-
Solid State Communications . Oct2009, Vol. 149 Issue 39/40, p1717-1721. 5p. - Publication Year :
- 2009
-
Abstract
- Abstract: First-principles calculations have been performed on the C-doped anatase TiO2. The doped TiO2 shows half-metallic properties and a 2.0 μB magnetic moment per cell. The magnetic coupling is closely related to the C–C distance. When the distance is shorter than a typical CC double bond (), the system is nonmagnetic and the dopants tend to form a cluster through a direct CC bonding interaction [Appl. Phys. Lett. 93 (2008) 132507]. When the distance is between 3.8 and , there exists strong ferromagnetic or antiferromagnetic coupling between two C atoms. The ferromagnetic coupling is induced by the bent C–Ti–C unit. When the distance is further increased, the system becomes paramagnetic. [Copyright &y& Elsevier]
Details
- Language :
- English
- ISSN :
- 00381098
- Volume :
- 149
- Issue :
- 39/40
- Database :
- Academic Search Index
- Journal :
- Solid State Communications
- Publication Type :
- Academic Journal
- Accession number :
- 44035337
- Full Text :
- https://doi.org/10.1016/j.ssc.2009.06.013