First-principles investigation of Fe-doped MgSiO 3-ilmenite
First principles density functional theory and generalised gradient approximation (GGA) have been exploited to investigate Fe-doped ilmenite-type MgSiO 3 mineral. Strong electron correlation effects not included in a density-functional formalism are described by a Hubbard-type on-site Coulomb repuls...
Saved in:
| Main Author: | |
|---|---|
| Other Authors: | , |
| Format: | article |
| Published: |
2012
|
| Subjects: | |
| Online Access: | http://dspace.utpl.edu.ec/handle/123456789/19243 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Add Tag