Abstract
Marked room-temperature ferromagnetism (RTFM) was obtained in carbon- and nitrogen-doped rutile \(\hbox {TiO}_2\) powders. X-ray photoelectron spectroscopy measurements revealed the co-existence of considerable densities of states near the Fermi level (\(E_{\rm F}\)) and oxygen vacancies primarily induced by C- and N-doping. Density functional theory calculations showed that the local moments responsible for the observed RTFM in N-doped \(\hbox {TiO}_2\) were primarily attributed to the partially populated, spin-polarized Ti \(3d\) band. In addition to the unfilled Ti \(3d\) band, the spin splitting in C \(2p\) states near \(E_{\rm F}\) in C-doped \(\hbox {TiO}_2\), which may be induced by the \(p-p\) interaction between the C impurities and neighboring oxygen ions, results in Stoner band-splitting-type ferromagnetism.
Published Version
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