Effect of nitrogen concentration on the electronic and vibrational properties of zinc-blende InN x P 1-x (x > 0.01)

M. Debbichi (), A. Ben Fredj, A. Bhouri, N. Bouarissa and M. Said ()

The European Physical Journal B: Condensed Matter and Complex Systems, 2006, vol. 51, issue 1, 17-23

Abstract: Taking into account the recent advances in the epitaxial growth of single-crystal InN leading to a drastic re-evaluation of its fundamental energy band gap, we have studied the electronic properties of InN x P 1-x (x > 0.01) ternary alloy. Using the empirical pseudopotential method under the virtual crystal approximation, combined with the Harrison bond orbital model, the band gap at Γ, X and L points, the effective masses of the Γ valley and the electronic charge densities are calculated as a function of nitrogen composition. The fitted expressions of the energy band gaps indicate that the bowing parameter at Γ reached a broad value for very low nitrogen incorporation ( $x\le 1\%$ ). Furthermore, the band gap at Γ point decreases drastically with increasing nitrogen composition up to 1%. The elastic constants and the optical phonon frequencies are also reported. Our theoretical results provide a good agreement with the available data. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2006

Keywords: 71.20.Nr Semiconductor compounds; 71.15.-m Methods of electronic structure calculations; 71.15.Dx Computational methodology (search for similar items in EconPapers)
Date: 2006
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DOI: 10.1140/epjb/e2006-00187-8

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