| Автор | Jürgen Fritsch |
| Автор | Otto F Sankey |
| Автор | Kevin E Schmidt |
| Автор | John B Page |
| Дата выпуска | 1999-03-22 |
| dc.description | We have investigated the lattice parameters, bond lengths, and band-gap energies of ordered and random alloys of wurtzite-phase AlN and GaN, using density-functional local-orbital theory based on the local-density approximation and the pseudopotential method. The lattice constants a and c are found to change nearly linearly with x for all structures. However, the Ga-N and Al-N bond lengths exhibit significantly smaller variations, which is in agreement with the data from recent x-ray absorption fine-structure measurements. The alloys are direct-gap semiconductors for all Al fractions x. The alloy structures investigated exhibit a small downward bowing of the band-gap energy. The bowing is substantially reduced by optimizing the lattice parameters. For ordered alloys, the band-gap energies are found to show a nearly linear variation with the Al fraction. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | First-principles local-orbital calculation of the structural and electronic properties of ordered and random alloys of GaN and AlN |
| Тип | paper |
| DOI | 10.1088/0953-8984/11/11/007 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 11 |
| Первая страница | 2351 |
| Последняя страница | 2361 |
| Аффилиация | Jürgen Fritsch; Department of Physics and Astronomy, Arizona State University, Tempe, AZ 85287-1504, USA |
| Аффилиация | Otto F Sankey; Department of Physics and Astronomy, Arizona State University, Tempe, AZ 85287-1504, USA |
| Аффилиация | Kevin E Schmidt; Department of Physics and Astronomy, Arizona State University, Tempe, AZ 85287-1504, USA |
| Аффилиация | John B Page; Department of Physics and Astronomy, Arizona State University, Tempe, AZ 85287-1504, USA |
| Выпуск | 11 |
