Quantum chemical study of defective chromium oxide
Through the use of first-principles calculations based on the Density Functional Theory (DFT) within the Generalized Gradient Approximation (GGA), a study of the defective ?-Cr2O3 crystal has been performed. Structural, electronic and magnetic properties due to Ti, Ca and N impurities have been stud...
Saved in:
| Hovedforfatter: | |
|---|---|
| Andre forfattere: | |
| Format: | article |
| Udgivet: |
2013
|
| Fag: | |
| Online adgang: | http://dspace.utpl.edu.ec/handle/123456789/19186 |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|
Tilføj Tag