First-principles calculations of chromium oxide containing impurities
First-principles calculations based on the Density Functional Theory (DFT) within the Generalized Gradient Approximation (GGA) have been used to study the defective alpha-Cr2O3 crystal. Structural, electronic and magnetic properties due to Ti, Ca and N impurities have been studied. Ti-doped supercel...
Salvato in:
| Autore principale: | |
|---|---|
| Altri autori: | |
| Natura: | article |
| Pubblicazione: |
2014
|
| Accesso online: | http://dspace.utpl.edu.ec/handle/123456789/19141 |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne!!
|
Aggiungi Tag Lascia un commento!