Article thumbnail

Structural properties of AlN from first principles calculations

By S. Saib and N. Bouarissa

Abstract

We present first-principles calculations of structural properties of AlN in wurtzite, zinc-blende and rocksalt structures. The calculations are performed within the framework of the density-functional theory with both the local-density approximation and the generalized gradient approximation. The results are roughly in good agreement with the available experimental data and found to yield improved structural properties for AlN compared to the previous theoretical calculations. This may give a consistent theoretical description of the structural properties of AlN. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2005

DOI identifier: 10.1140/epjb/e2005-00347-4
OAI identifier:
Download PDF:
Sorry, we are unable to provide the full text but you may find it at the following location(s):
  • http://hdl.handle.net/10.1140/... (external link)

  • To submit an update or takedown request for this paper, please submit an Update/Correction/Removal Request.

    Suggested articles