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...
Gardado en:
| Autor Principal: | |
|---|---|
| Outros autores: | , |
| Formato: | article |
| Publicado: |
2011
|
| Subjects: | |
| Acceso en liña: | http://dspace.utpl.edu.ec/handle/123456789/19281 |
| Tags: |
Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!
|
Engadir etiqueta