Periodic DFT Study of the Structural and Electronic Properties of Bulk CoAl 2 O 4 Spinel
✍ Scribed by Tielens, F.; Calatayud, M.; Franco, R.; Recio, J. M.; Pérez-Ramírez, J.; Minot, C.
- Book ID
- 126896873
- Publisher
- American Chemical Society
- Year
- 2006
- Tongue
- English
- Weight
- 132 KB
- Volume
- 110
- Category
- Article
- ISSN
- 0022-3654
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Ab initio study of structural, elastic, electronic and optical properties of the cubic spinel oxide SnMg 2 O 4 has been reported using the pseudo-potential plane-wave method within the local density approximation and the gradient generalized approximation for the exchange and correlation potential.
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