First-principles study of wurtzite InN$(0001)$ and $(000{\bar 1})$ surfaces
| dc.creator | Gan, Chee Kwan | |
| dc.creator | Srolovitz, David J. | |
| dc.date | 2006-09-22 | |
| dc.date.accessioned | 2026-07-07T07:23:40Z | |
| dc.date.available | 2026-07-07T07:23:40Z | |
| dc.description | Density-functional calculations are used to study various plausible structures of the wurtzite InN $(0001)$ and $(000{\bar 1})$ surfaces. These structures include the unreconstructed surfaces, surfaces with monolayers of In or N, several possible coverages and locations of In or N adatoms and vacancies. The stable structure of the $(0001)$ surface under N-rich conditions is the unreconstructed, In-terminated, surface, while under In-rich conditions the stable surface has a 3/4 monolayer of In atoms. The stable structure of the InN $(000{\bar 1})$ surface corresponds to a full monolayer of In atoms in the atop sites (directly above the N atoms) over the entire range of accessible In (or N) chemical potential. The atomic structures of the low-energy structures are also discussed. | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0609563 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0609563 | |
| dc.identifier | Phy. Rev. B vol. 74, page 115319, 2006 | |
| dc.identifier | doi:10.1103/PhysRevB.74.115319 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/116066 | |
| dc.subject | Materials Science | |
| dc.title | First-principles study of wurtzite InN$(0001)$ and $(000{\bar 1})$ surfaces | |
| dc.type | text |