| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1562735 | Computational Materials Science | 2010 | 6 Pages |
Abstract
Band structure calculation shows that C1b phase exhibits a semiconducting behavior with a narrow indirect gap. The conduction band valleys follow the X-L-Î ordering of increasing energy. The L21 is found to be metallic. The valence charge density analysis show that the bonding in the C1b phase is partially covalent and partially ionic.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
F. Kalarasse, L. Kalarasse, B. Bennecer, A. Mellouki,