Simple models for InGaN alloys

Fathi Elfituri, Benjamin Hourahine

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)


The properties of InGaN alloys are important for many applications in optoelectronics, since their fundamental gap spans the visible range. Calculating properties, particularly for InN, is theoretically challenging, especially to obtain accurate values for the band gap. We have developed a semi-empirical parametrization of (In,Ga) N using the density functional based tight binding method (DFTB), where the band gaps of InN and GaN have been empirically corrected to experiment. We demonstrate the performance of this method by calculating a range of properties for the two materials, including elastic constants and carrier effective masses. There are several methods to model alloys of these material, one of the simplest being the virtual crystal approximation, which we apply to derive electronic properties over the whole composition range for InGaN.
Original languageEnglish
Article numberpssc.201100147.R1
Number of pages4
JournalPhysica Status Solidi A
Issue number79
Early online date29 Nov 2012
Publication statusPublished - 2012


  • InGaN alloys
  • optoelectronics
  • crystal approximation


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