Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1518102 | Journal of Physics and Chemistry of Solids | 2006 | 5 Pages |
Abstract
Electronic properties and elastic constants of AlN in the wurtzite, zinc-blende and rocksalt structures are investigated using an ab initio pseudopotential method based on the density-functional theory with both the local-density approximation and the generalized gradient approximation for the exchange-correlation functional. The numerically calculated results compare well with the existing experimental data. For elastic constants of rocksalt AlN our results are predictions.
Related Topics
Physical Sciences and Engineering
Materials Science
Electronic, Optical and Magnetic Materials
Authors
S. Saib, N. Bouarissa,