Investigation of the influence of nonstoichiometry and doping with carbon and nitrogen on the electronic spectrum of rutile by the coherent potential method

The electronic spectra and magnetic properties of rutile (TiO 2 ), nonstoichiometric rutile (TiO 2 − δ ), and stoichiometric and nonstoichiometric rutiles doped with carbon or nitrogen (TiO 2 − y − δ C y and TiO 2 − y − δ N y , y (δ) = 0, 0.03, 0.06) have been calculated using the coherent potential...

Full description

Saved in:
Bibliographic Details
Published in:Physics of the solid state 2013-05, Vol.55 (5), p.952-959
Main Authors: Korotin, M. A., Zainullina, V. M.
Format: Article
Language:English
Subjects:
Chemical properties
Invisibility
Magnetic properties
Methods
Nitrides
Physics
Physics and Astronomy
Semiconductors
Solid State Physics
Sulfur compounds
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The electronic spectra and magnetic properties of rutile (TiO 2 ), nonstoichiometric rutile (TiO 2 − δ ), and stoichiometric and nonstoichiometric rutiles doped with carbon or nitrogen (TiO 2 − y − δ C y and TiO 2 − y − δ N y , y (δ) = 0, 0.03, 0.06) have been calculated using the coherent potential method. The used method of investigation has made it possible for the first time to calculate the disordered arrangement of impurity atoms and vacancies in the oxygen sublattice with their arbitrary concentration. The changes in the electronic spectrum and magnetic properties with variations in the concentration of dopants have been investigated. The possible photocatalytic activity of considered compositions has been analyzed.
ISSN:1063-7834
1090-6460
DOI:10.1134/S106378341305017X