V. Zainullina, M. A. Korotin, “Electronic structure of rutile simultaneously doped with carbon and nitrogen atoms in the coherent potential approximation”, Fizika Tverdogo Tela, 2013, Volume 55, Issue 1,Pages <nobr>19

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Semiconductors

Electronic structure of rutile simultaneously doped with carbon and nitrogen atoms in the coherent potential approximation

V. Zainullina^ab, M. A. Korotin^b

^a Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences, Ekaterinburg
^b Institute of Metal Physics, Ural Branch of the Russian Academy of Sciences, Ekaterinburg

Abstract: The coherent potential method has been used for calculating the electronic structure and magnetic properties of rutile with a disordered arrangement of impurity carbon and nitrogen atoms in the oxygen sublattice: TiO$_{2-x-y}$C$_x$N$_y$, $x(y)$ = 0, 0.03, and 0.06. The tendencies to changes in the magnetic moment and photocatalytic activity with variations in the carbon-nitrogen composition of codoped rutile have been analyzed using the obtained data.

Received: 08.06.2012