| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1531997 | Materials Science and Engineering: B | 2006 | 7 Pages |
Abstract
The structural, electronic and optical properties of antiperovskite semiconductors AsNMg3 and SbNMg3 have been studied using the full-potential augmented plane wave plus local-orbital (APW+lo) method. The exchange correlation has been treated using the generalized gradient approximation (GGA). The equilibrium lattice constant and other structural properties have been determined. The AsNMg3 is found to be a direct band gap semiconductor while SbNMg3 is indirect. The results for electronic band structures, density of states, charge densities as well as optical properties are presented and discussed.
Related Topics
Physical Sciences and Engineering
Materials Science
Electronic, Optical and Magnetic Materials
Authors
C.M.I. Okoye,