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...
Wedi'i Gadw mewn:
| Prif Awdur: | |
|---|---|
| Awduron Eraill: | |
| Fformat: | article |
| Cyhoeddwyd: |
2014
|
| Mynediad Ar-lein: | http://dspace.utpl.edu.ec/handle/123456789/19141 |
| Tagiau: |
Ychwanegu Tag
Dim Tagiau, Byddwch y cyntaf i dagio'r cofnod hwn!
|
Ychwanegu Tag