Ab initio calculation of chromium oxide containing Ti dopant
First-principles computations based on the density functional theory within the generalised gradient approximation and introduced intra-atomic interaction term for strongly correlated electrons (DFT + U method) has been used in this work. Ti impurity doping in the ?-Cr 2O 3 crystal has been carried...
Saved in:
| Main Author: | |
|---|---|
| Other Authors: | , |
| Format: | article |
| Published: |
2011
|
| Subjects: | |
| Online Access: | http://dspace.utpl.edu.ec/handle/123456789/19281 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Add Tag