Structural, electronic, elastic and high-pressure properties of some alkaline-earth chalcogenides: An ab initio study
✍ Scribed by R. Khenata; M. Sahnoun; H. Baltache; M. Rérat; D. Rached; M. Driz; B. Bouhafs
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 421 KB
- Volume
- 371
- Category
- Article
- ISSN
- 0921-4526
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
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.
The structural, elastic and electronic properties of intermetallic SnAMn 3 compounds with the cubic antiperovskite structure have been investigated, by employing ab initio calculations. The elastic constants and their pressure dependence are calculated using the static finite strain technique. We de
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