| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1791674 | Journal of Crystal Growth | 2012 | 6 Pages |
The specific adsorption sites at the initial growth stage and the atomic structure of AlN on the SrTiO3 (1 1 1) substrate have been systematically investigated. The Al adsorption atoms are more favorable than the N atoms for the SrTiO3 (1 1 1) surface. The abnormal Al/SrO3 interface is energetically favorable among the atomic arrangements of the AlN/SrTiO3 (1 1 1) interfaces. Oxygen vacancies at the abnormal Al/SrO3 interface weaken the stability and induce the occupied states.
► We theoretically investigated the initial growth of AlN on SrTiO3 (1 1 1) surface. ► The structural, energetic and electronic properties of AlN/SrTi03 (1 1 1) interfaces are presented. ► Oxygen vacancies at the abnormal Al/SrO3 interface weaken the stability and induce the occupied states.
