Ab initio study of structural, electronic, phase diagram, and optical properties of CdSexTe1−xsemiconducting alloys
✍ Scribed by S. Ouendadji; S. Ghemid; N. Bouarissa; H. Meradji; F. El Haj Hassan
- Publisher
- Springer
- Year
- 2011
- Tongue
- English
- Weight
- 402 KB
- Volume
- 46
- Category
- Article
- ISSN
- 0022-2461
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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.
We investigated the structural, elastic and electronic properties of 4d-transition-metal carbides (ZrC, NbC) and nitrides (ZrN, NbN) and their ternary alloys Zr x Nb 1Àx C and Zr x Nb 1Àx N in the range 0rxr1 by using the APW+lo method to solve Kohn-Sham equations. We have used the local density app