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, Türkiye, 30 Temmuz - 04 Ağustos 2006, cilt.4, ss.234-236 identifier identifier

  • Yayın Türü: Bildiri / Tam Metin Bildiri
  • Cilt numarası: 4
  • Doi Numarası: 10.1002/pssc.200673247
  • Basıldığı Şehir: İstanbul
  • Basıldığı Ülke: Türkiye
  • Sayfa Sayıları: ss.234-236

Özet

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.