Structure, electronic and magnetic properties of Ca-doped chromium oxide studied by the DFT method
Using first-principles density functional theory calculations within the generalised gradient approximation (GGA) as well as GGAU method we study Ca-doped ?-Cr 2O 3 crystal. Structural, electronic and magnetic properties due to the singular impurity incorporation have been investigated and discussed...
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| Formato: | article |
| Publicado em: |
2012
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| Acesso em linha: | http://dspace.utpl.edu.ec/handle/123456789/19248 |
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