Chemical trend of band offsets at wurtzite/zinc-blende heterocrystalline semiconductor interfaces

M. Murayama and T. Nakayama
Phys. Rev. B 49, 4710 – Published 15 February 1994
PDFExport Citation

Abstract

The band structures of various semiconductors in both wurtzite (WZ) and zinc-blende (ZB) structures are calculated using the first-principles pseudopotential method within the local-density approximation, and then the band offsets at (111) WZ/ZB interfaces are evaluated for the band-edge states around fundamental gaps. We found that the band offsets are larger for ‘‘zone-boundary states’’ having large wave numbers perpendicular to [111] than for ‘‘zone-center states’’ having small wave numbers perpendicular to [111]. These phenomena occur because the former offsets are caused by the phase matching of a wave function through the first-nearest-neighboring site, whereas the latter are caused by the difference between the position of the third-nearest-neighboring site in the WZ and ZB structures. In addition, we show that the band offset increases with decreasing ionicity of the constituent semiconductor material, i.e., the magnitude of the band offset is determined by the competition between ionicity and covalency.

  • Received 22 October 1993

DOI:https://doi.org/10.1103/PhysRevB.49.4710

©1994 American Physical Society

Authors & Affiliations

M. Murayama and T. Nakayama

  • Department of Physics, Faculty of Science, Chiba University, Yayoi Inage, Chiba 263, Japan

References (Subscription Required)

Click to Expand
Issue

Vol. 49, Iss. 7 — 15 February 1994

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×