Structural, elastic and electronic properties of AIN: A first principles study

Ciftci Y., Colakoglu K., Deligoz E.

International Conference on Superlattices, Nano-Structures and Nano-Devices, İstanbul, Turkey, 30 July - 04 August 2006, vol.4, pp.234-236 identifier identifier

  • Publication Type: Conference Paper / Full Text
  • Volume: 4
  • Doi Number: 10.1002/pssc.200673247
  • City: İstanbul
  • Country: Turkey
  • Page Numbers: pp.234-236
  • Gazi University Affiliated: Yes

Abstract

The brief results of the first-principles ground-state total energy calculations for aliminium nitrat(AlN) in zincblende and rocksalt structures are presented. Structural, elastic, and electronic calculations are performed using the SIESTA method with norm-conserving pseudopotentials. The obtained results are compared with the available experimental and other theoretical data, and the agreement is, generally, quite good. (c) 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.