Speaker
Level for award<br> (Hons, MSc, <br> PhD, N/A)?
PhD
Please indicate whether<br>this abstract may be<br>published online<br>(Yes / No)
Yes
Main supervisor (name and email)<br>and his / her institution
Francis Dejene
dejenebf@qwa.uovs.ac.za
University of the Free State-Qwaqwa campus, Department of physics
Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?
No
Apply to be<br> considered for a student <br> award (Yes / No)?
Yes
Abstract content <br> (Max 300 words)<br><a href="http://events.saip.org.za/getFile.py/access?resId=0&materialId=0&confId=34" target="_blank">Formatting &<br>Special chars</a>
TiO2 doped with Cr has been investigated using density functional theory with the Hubbard term (DFT+U), In addition to electronic properties, we have also investigated the magnetic properties Cr-doped TiO2. Among the crystal structure investigated includes rutile, anatase and brookite TiO2. From the study we observed that, between 0-5% Cr doping, the systems displayed a paramagnetic behavior while between 6-8% the systems exhibit ferromagnetic characteristics. The magnetic moment was found to increase with the increase in doping percentage upto 6%, above 6% the magnetic moment remained constant (~2µB) indicating magnetic saturation. The anatase structures highly favors Cr doping than rutile and brookite.
