| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1812041 | Physica B: Condensed Matter | 2011 | 5 Pages |
Abstract
The ground state properties of recent antiperovskite MgCNi3 and related systems ZnCNi3 and GaCNi3 are studied using full-potential augmented plane waves method. The obtained quantities agree well with the recent experiments and theoretical data. The band structure is dominated by the Ni d band as shown in the charge density and density of states. Besides, the effect of external pressure has been addressed.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
F. Boutaiba, A. Zaoui, M. Ferhat,