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• W3104363162 abstract "Density functional theory calculations indicate that the incorporation of V into Ti lattice positions of rutile TiO(2) leads to magnetic V(4+) species, but the extension and sign of the coupling between dopant moments confirm that ferromagnetic order cannot be reached via low-concentration doping in the non-defective oxide. Oxygen vacancies can introduce additional magnetic centres, and we show here that one of the effects of vanadium doping is to reduce the formation energies of these defects. In the presence of both V dopants and O vacancies all the spins tend to align with the same orientation. We conclude that V doping favours the ferromagnetic behaviour of TiO(2) not only by introducing spins associated with the dopant centres but also by increasing the concentration of oxygen vacancies with respect to the pure oxide." @default.
• W3104363162 created "2020-11-23" @default.
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• W3104363162 date "2011-08-03" @default.
• W3104363162 modified "2023-10-16" @default.
• W3104363162 title "The interplay between dopants and oxygen vacancies in the magnetism of V-doped TiO₂" @default.
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• W3104363162 doi "https://doi.org/10.1088/0953-8984/23/33/334216" @default.
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