| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1553587 | Superlattices and Microstructures | 2014 | 7 Pages |
•The formation energies for one Al–N bond in AlGaNAs and AlGaNP are obtained.•N atoms bind preferentially to Al atoms rather than In atoms in AlxGayIn1−x−yNzX1−z (X = As or P) alloys is explained.•N atoms bind preferentially to Al atoms in both surface and bulk for AlGaNAs and AlGaNP alloys.
The formation energy of one Al–N bond and the average number of the nearest-neighbor Al atoms per N atom in the Ga-rich dilute nitride AlxGa1−xNyX1−y (X = As, or P) alloys are calculated. It is found that Al–N clusters are thermodynamically stable. We also find that the N atoms bind preferentially to Al atoms in both surface and bulk in AlGaNAs and AlGaNP alloys. In addition, we discuss the N bonding configuration in AlxGayIn1−x−yNzAs1−z and AlxGayIn1−x−yNzP1−z and find that the N atoms bind preferentially to Al atoms rather than In atoms in AlxGayIn1−x−yNzAs1−z and AlxGayIn1−x−yNzP1−z alloys.
Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide
