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...
Wedi'i Gadw mewn:
| Prif Awdur: | |
|---|---|
| Awduron Eraill: | , |
| Fformat: | article |
| Cyhoeddwyd: |
2011
|
| Pynciau: | |
| Mynediad Ar-lein: | http://dspace.utpl.edu.ec/handle/123456789/19281 |
| Tagiau: |
Ychwanegu Tag
Dim Tagiau, Byddwch y cyntaf i dagio'r cofnod hwn!
|
Ychwanegu Tag