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Keywords:

  • 61.72.uj;
  • 71.15.Mb;
  • 78.30.Fs;
  • 81.05.Hd

Abstract

The analysis of vibration frequencies in dilute semiconducting alloys is addressed, as part of a more vast paradigm for the description of lattice dynamics in semiconductor alloys within the “1 bond – 2 mode” concept. Specific cases considered are those of Be impurities in ZnSe (system with high elastic contrast; aspects of impurity clustering) and of (Ga,In)As alloys, exhibiting much smaller elastic contrast and almost vanishing value of the mode splitting parameter, Δ. First-principles calculations of frequencies are done by Siesta method, using 64-atom supercells. (© 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)