Details

Autor(en) / Beteiligte

• Silvestri, Leonardo
• Cervenka, Jiri
• Prawer, Steven
• Ladouceur, François

Titel

First principle study of valence-band offsets at AlN/diamond heterojunctions

Ist Teil von

• Diamond and related materials, 2013-01, Vol.31, p.25-29

Ort / Verlag

Amsterdam: Elsevier B.V

Erscheinungsjahr

2013

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• We present a first principle study of the band alignment at AlN/diamond heterojunctions. We consider AlN (0001) and diamond with (100) and (111) orientations, assuming that the first AlN layer at the interface is made of N atoms. Our results show that the average valence-band offset is about 1.6eV, corresponding to a staggered (type II) band alignment. We also find a weak dependence of the valence-band offset on strain and on the diamond orientation. ► First ab-initio calculation of the valence-band offset (VBO) for AlN/diamond ► AlN/diamond band alignment is crucial for many technological applications. ► VBO is calculated for various strain and diamond orientations. ► The average VBO for the studied AlN polarity is 1.6eV (type II band alignment). ► We find that strain and diamond orientations have only a minor effect on the VBO.